2-amino-2-methylpropanoic acid;4-bromo-2-fluoro-1-iodobenzene;5-(4-bromo-2-fluorophenyl)pent-4-yn-1-ol;5-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]pentyl 4-methylbenzenesulfonate;(3-chloro-4-cyanophenyl) thiocyanate;2-chloro-4-[3-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pentyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-[3-fluoro-4-(5-hydroxypentyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoic acid;2-[3-fluoro-4-(5-hydroxypent-1-ynyl)anilino]-2-methylpropanoic acid;methyl 2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoate;pent-4-yn-1-ol;2,2,2-trifluoroacetaldehyde

C192H207Br2Cl4F11IN23O29S5 — CID 165069517

About 2-amino-2-methylpropanoic acid;4-bromo-2-fluoro-1-iodobenzene;5-(4-bromo-2-fluorophenyl)pent-4-yn-1-ol;5-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]pentyl 4-methylbenzenesulfonate;(3-chloro-4-cyanophenyl) thiocyanate;2-chloro-4-[3-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pentyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-[3-fluoro-4-(5-hydroxypentyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoic acid;2-[3-fluoro-4-(5-hydroxypent-1-ynyl)anilino]-2-methylpropanoic acid;methyl 2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoate;pent-4-yn-1-ol;2,2,2-trifluoroacetaldehyde

2-amino-2-methylpropanoic acid;4-bromo-2-fluoro-1-iodobenzene;5-(4-bromo-2-fluorophenyl)pent-4-yn-1-ol;5-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]pentyl 4-methylbenzenesulfonate;(3-chloro-4-cyanophenyl) thiocyanate;2-chloro-4-[3-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pentyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-[3-fluoro-4-(5-hydroxypentyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoic acid;2-[3-fluoro-4-(5-hydroxypent-1-ynyl)anilino]-2-methylpropanoic acid;methyl 2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoate;pent-4-yn-1-ol;2,2,2-trifluoroacetaldehyde (PubChem CID 165069517) has the molecular formula C192H207Br2Cl4F11IN23O29S5 and a molecular weight of 4098.74 g/mol. Its IUPAC name is 2-amino-2-methylpropanoic acid;4-bromo-2-fluoro-1-iodobenzene;5-(4-bromo-2-fluorophenyl)pent-4-yn-1-ol;5-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]pentyl 4-methylbenzenesulfonate;(3-chloro-4-cyanophenyl) thiocyanate;2-chloro-4-[3-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pentyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-[3-fluoro-4-(5-hydroxypentyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoic acid;2-[3-fluoro-4-(5-hydroxypent-1-ynyl)anilino]-2-methylpropanoic acid;methyl 2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoate;pent-4-yn-1-ol;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 2-amino-2-methylpropanoic acid;4-bromo-2-fluoro-1-iodobenzene;5-(4-bromo-2-fluorophenyl)pent-4-yn-1-ol;5-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]pentyl 4-methylbenzenesulfonate;(3-chloro-4-cyanophenyl) thiocyanate;2-chloro-4-[3-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pentyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-[3-fluoro-4-(5-hydroxypentyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoic acid;2-[3-fluoro-4-(5-hydroxypent-1-ynyl)anilino]-2-methylpropanoic acid;methyl 2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoate;pent-4-yn-1-ol;2,2,2-trifluoroacetaldehyde
• PubChem CID: 165069517
• Molecular Formula: C192H207Br2Cl4F11IN23O29S5
• Molecular Weight: 4098.74 g/mol
• Exact Mass: 4092.00
• IUPAC Name: 2-amino-2-methylpropanoic acid;4-bromo-2-fluoro-1-iodobenzene;5-(4-bromo-2-fluorophenyl)pent-4-yn-1-ol;5-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]pentyl 4-methylbenzenesulfonate;(3-chloro-4-cyanophenyl) thiocyanate;2-chloro-4-[3-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pentyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-[3-fluoro-4-(5-hydroxypentyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoic acid;2-[3-fluoro-4-(5-hydroxypent-1-ynyl)anilino]-2-methylpropanoic acid;methyl 2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoate;pent-4-yn-1-ol;2,2,2-trifluoroacetaldehyde
• SMILES: C#CCCCO.CC(C)(N)C(=O)O.CC(C)(Nc1ccc(C#CCCCO)c(F)c1)C(=O)O.CC(C)(Nc1ccc(CCCCCO)c(F)c1)C(=O)O.CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1c1ccc(CCCCCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(F)c1.CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1c1ccc(CCCCCO)c(F)c1.COC(=O)C(C)(C)Nc1ccc(CCCCCO)c(F)c1.Cc1ccc(S(=O)(=O)OCCCCCc2ccc(N3C(=S)N(c4ccc(C#N)c(Cl)c4)C(=O)C3(C)C)cc2F)cc1.Fc1cc(Br)ccc1I.N#CSc1ccc(C#N)c(Cl)c1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.O=CC(F)(F)F.OCCCC#Cc1ccc(Br)cc1F
• InChI: InChI=1S/C40H39ClFN7O5S.C30H29ClFN3O4S2.C23H23ClFN3O2S.C17H18N4O4.C16H24FNO3.C15H22FNO3.C15H18FNO3.C11H10BrFO.C8H3ClN2S.C6H3BrFI.C5H8O.C4H9NO2.C2HF3O/c1-40(2)38(54)47(27-9-8-25(23-43)31(41)21-27)39(55)49(40)28-10-7-24(32(42)22-28)6-4-3-5-15-45-16-18-46(19-17-45)26-11-12-29-30(20-26)37(53)48(36(29)52)33-13-14-34(50)44-35(33)51;1-20-8-14-25(15-9-20)41(37,38)39-16-6-4-5-7-21-10-13-24(18-27(21)32)35-29(40)34(28(36)30(35,2)3)23-12-11-22(19-33)26(31)17-23;1-23(2)21(30)27(17-9-8-16(14-26)19(24)12-17)22(31)28(23)18-10-7-15(20(25)13-18)6-4-3-5-11-29;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;1-16(2,15(20)21-3)18-13-9-8-12(14(17)11-13)7-5-4-6-10-19;2*1-15(2,14(19)20)17-12-8-7-11(13(16)10-12)6-4-3-5-9-18;12-10-6-5-9(11(13)8-10)4-2-1-3-7-14;9-8-3-7(12-5-11)2-1-6(8)4-10;7-4-1-2-6(9)5(8)3-4;1-2-3-4-5-6;1-4(2,5)3(6)7;3-2(4,5)1-6/h7-12,20-22,33H,3-6,13-19H2,1-2H3,(H,44,50,51);8-15,17-18H,4-7,16H2,1-3H3;7-10,12-13,29H,3-6,11H2,1-2H3;1-2,9,13,18H,3-8H2,(H,19,22,23);8-9,11,18-19H,4-7,10H2,1-3H3;7-8,10,17-18H,3-6,9H2,1-2H3,(H,19,20);7-8,10,17-18H,3,5,9H2,1-2H3,(H,19,20);5-6,8,14H,1,3,7H2;1-3H;1-3H;1,6H,3-5H2;5H2,1-2H3,(H,6,7);1H
• InChIKey: SNJBFXUPEUNHDB-UHFFFAOYSA-N
• XLogP: 33.93
• TPSA: 760.58 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 43
• Rotatable Bonds: 56
• Heavy Atoms: 267
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4098.74
LogP ≤ 5	33.93
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropanoic acid;4-bromo-2-fluoro-1-iodobenzene;5-(4-bromo-2-fluorophenyl)pent-4-yn-1-ol;5-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]pentyl 4-methylbenzenesulfonate;(3-chloro-4-cyanophenyl) thiocyanate;2-chloro-4-[3-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pentyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-[3-fluoro-4-(5-hydroxypentyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoic acid;2-[3-fluoro-4-(5-hydroxypent-1-ynyl)anilino]-2-methylpropanoic acid;methyl 2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoate;pent-4-yn-1-ol;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 2-amino-2-methylpropanoic acid;4-bromo-2-fluoro-1-iodobenzene;5-(4-bromo-2-fluorophenyl)pent-4-yn-1-ol;5-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]pentyl 4-methylbenzenesulfonate;(3-chloro-4-cyanophenyl) thiocyanate;2-chloro-4-[3-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pentyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-[3-fluoro-4-(5-hydroxypentyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoic acid;2-[3-fluoro-4-(5-hydroxypent-1-ynyl)anilino]-2-methylpropanoic acid;methyl 2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoate;pent-4-yn-1-ol;2,2,2-trifluoroacetaldehyde (CID 165069517) is 2-amino-2-methylpropanoic acid;4-bromo-2-fluoro-1-iodobenzene;5-(4-bromo-2-fluorophenyl)pent-4-yn-1-ol;5-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]pentyl 4-methylbenzenesulfonate;(3-chloro-4-cyanophenyl) thiocyanate;2-chloro-4-[3-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pentyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-[3-fluoro-4-(5-hydroxypentyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoic acid;2-[3-fluoro-4-(5-hydroxypent-1-ynyl)anilino]-2-methylpropanoic acid;methyl 2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoate;pent-4-yn-1-ol;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 2-amino-2-methylpropanoic acid;4-bromo-2-fluoro-1-iodobenzene;5-(4-bromo-2-fluorophenyl)pent-4-yn-1-ol;5-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]pentyl 4-methylbenzenesulfonate;(3-chloro-4-cyanophenyl) thiocyanate;2-chloro-4-[3-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pentyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-[3-fluoro-4-(5-hydroxypentyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoic acid;2-[3-fluoro-4-(5-hydroxypent-1-ynyl)anilino]-2-methylpropanoic acid;methyl 2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoate;pent-4-yn-1-ol;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 2-amino-2-methylpropanoic acid;4-bromo-2-fluoro-1-iodobenzene;5-(4-bromo-2-fluorophenyl)pent-4-yn-1-ol;5-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]pentyl 4-methylbenzenesulfonate;(3-chloro-4-cyanophenyl) thiocyanate;2-chloro-4-[3-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pentyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-[3-fluoro-4-(5-hydroxypentyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoic acid;2-[3-fluoro-4-(5-hydroxypent-1-ynyl)anilino]-2-methylpropanoic acid;methyl 2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoate;pent-4-yn-1-ol;2,2,2-trifluoroacetaldehyde is C#CCCCO.CC(C)(N)C(=O)O.CC(C)(Nc1ccc(C#CCCCO)c(F)c1)C(=O)O.CC(C)(Nc1ccc(CCCCCO)c(F)c1)C(=O)O.CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1c1ccc(CCCCCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(F)c1.CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1c1ccc(CCCCCO)c(F)c1.COC(=O)C(C)(C)Nc1ccc(CCCCCO)c(F)c1.Cc1ccc(S(=O)(=O)OCCCCCc2ccc(N3C(=S)N(c4ccc(C#N)c(Cl)c4)C(=O)C3(C)C)cc2F)cc1.Fc1cc(Br)ccc1I.N#CSc1ccc(C#N)c(Cl)c1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.O=CC(F)(F)F.OCCCC#Cc1ccc(Br)cc1F.

What is the InChIKey of 2-amino-2-methylpropanoic acid;4-bromo-2-fluoro-1-iodobenzene;5-(4-bromo-2-fluorophenyl)pent-4-yn-1-ol;5-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]pentyl 4-methylbenzenesulfonate;(3-chloro-4-cyanophenyl) thiocyanate;2-chloro-4-[3-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pentyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-[3-fluoro-4-(5-hydroxypentyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoic acid;2-[3-fluoro-4-(5-hydroxypent-1-ynyl)anilino]-2-methylpropanoic acid;methyl 2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoate;pent-4-yn-1-ol;2,2,2-trifluoroacetaldehyde?

The InChIKey is SNJBFXUPEUNHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39ClFN7O5S.C30H29ClFN3O4S2.C23H23ClFN3O2S.C17H18N4O4.C16H24FNO3.C15H22FNO3.C15H18FNO3.C11H10BrFO.C8H3ClN2S.C6H3BrFI.C5H8O.C4H9NO2.C2HF3O/c1-40(2)38(54)47(27-9-8-25(23-43)31(41)21-27)39(55)49(40)28-10-7-24(32(42)22-28)6-4-3-5-15-45-16-18-46(19-17-45)26-11-12-29-30(20-26)37(53)48(36(29)52)33-13-14-34(50)44-35(33)51;1-20-8-14-25(15-9-20)41(37,38)39-16-6-4-5-7-21-10-13-24(18-27(21)32)35-29(40)34(28(36)30(35,2)3)23-12-11-22(19-33)26(31)17-23;1-23(2)21(30)27(17-9-8-16(14-26)19(24)12-17)22(31)28(23)18-10-7-15(20(25)13-18)6-4-3-5-11-29;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;1-16(2,15(20)21-3)18-13-9-8-12(14(17)11-13)7-5-4-6-10-19;2*1-15(2,14(19)20)17-12-8-7-11(13(16)10-12)6-4-3-5-9-18;12-10-6-5-9(11(13)8-10)4-2-1-3-7-14;9-8-3-7(12-5-11)2-1-6(8)4-10;7-4-1-2-6(9)5(8)3-4;1-2-3-4-5-6;1-4(2,5)3(6)7;3-2(4,5)1-6/h7-12,20-22,33H,3-6,13-19H2,1-2H3,(H,44,50,51);8-15,17-18H,4-7,16H2,1-3H3;7-10,12-13,29H,3-6,11H2,1-2H3;1-2,9,13,18H,3-8H2,(H,19,22,23);8-9,11,18-19H,4-7,10H2,1-3H3;7-8,10,17-18H,3-6,9H2,1-2H3,(H,19,20);7-8,10,17-18H,3,5,9H2,1-2H3,(H,19,20);5-6,8,14H,1,3,7H2;1-3H;1-3H;1,6H,3-5H2;5H2,1-2H3,(H,6,7);1H.

What are the key properties of 2-amino-2-methylpropanoic acid;4-bromo-2-fluoro-1-iodobenzene;5-(4-bromo-2-fluorophenyl)pent-4-yn-1-ol;5-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]pentyl 4-methylbenzenesulfonate;(3-chloro-4-cyanophenyl) thiocyanate;2-chloro-4-[3-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pentyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-[3-fluoro-4-(5-hydroxypentyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoic acid;2-[3-fluoro-4-(5-hydroxypent-1-ynyl)anilino]-2-methylpropanoic acid;methyl 2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoate;pent-4-yn-1-ol;2,2,2-trifluoroacetaldehyde?

2-amino-2-methylpropanoic acid;4-bromo-2-fluoro-1-iodobenzene;5-(4-bromo-2-fluorophenyl)pent-4-yn-1-ol;5-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]pentyl 4-methylbenzenesulfonate;(3-chloro-4-cyanophenyl) thiocyanate;2-chloro-4-[3-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pentyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-[3-fluoro-4-(5-hydroxypentyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoic acid;2-[3-fluoro-4-(5-hydroxypent-1-ynyl)anilino]-2-methylpropanoic acid;methyl 2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoate;pent-4-yn-1-ol;2,2,2-trifluoroacetaldehyde has a molecular weight of 4098.74 g/mol, XLogP of 33.93, 56 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methylpropanoic acid;4-bromo-2-fluoro-1-iodobenzene;5-(4-bromo-2-fluorophenyl)pent-4-yn-1-ol;5-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]pentyl 4-methylbenzenesulfonate;(3-chloro-4-cyanophenyl) thiocyanate;2-chloro-4-[3-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]pentyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-[3-fluoro-4-(5-hydroxypentyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoic acid;2-[3-fluoro-4-(5-hydroxypent-1-ynyl)anilino]-2-methylpropanoic acid;methyl 2-[3-fluoro-4-(5-hydroxypentyl)anilino]-2-methylpropanoate;pent-4-yn-1-ol;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 165069517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).