1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;5-bromo-2-benzofuran-1,3-dione;5-bromo-5'-chloro-6'-hydroxy-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-1-one;[6-bromo-5'-chloro-3-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-6'-yl] 2,2-dimethylpropanoate;bromomethane;3-(5'-chloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-7'-yl)propanoic acid;5'-chlorospiro[2-benzofuran-3,14'-3,7-dioxa-21-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(25),2(15),4(13),5,11,16-hexaene]-1,8'-dione;2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbonyl)benzoic acid;methyl 3-(3-chloro-2,4-dihydroxyphenyl)propanoate

C178H165Br6Cl5N6O34 — CID 157255687

About 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;5-bromo-2-benzofuran-1,3-dione;5-bromo-5'-chloro-6'-hydroxy-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-1-one;[6-bromo-5'-chloro-3-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-6'-yl] 2,2-dimethylpropanoate;bromomethane;3-(5'-chloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-7'-yl)propanoic acid;5'-chlorospiro[2-benzofuran-3,14'-3,7-dioxa-21-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(25),2(15),4(13),5,11,16-hexaene]-1,8'-dione;2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbonyl)benzoic acid;methyl 3-(3-chloro-2,4-dihydroxyphenyl)propanoate

1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;5-bromo-2-benzofuran-1,3-dione;5-bromo-5'-chloro-6'-hydroxy-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-1-one;[6-bromo-5'-chloro-3-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-6'-yl] 2,2-dimethylpropanoate;bromomethane;3-(5'-chloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-7'-yl)propanoic acid;5'-chlorospiro[2-benzofuran-3,14'-3,7-dioxa-21-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(25),2(15),4(13),5,11,16-hexaene]-1,8'-dione;2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbonyl)benzoic acid;methyl 3-(3-chloro-2,4-dihydroxyphenyl)propanoate (PubChem CID 157255687) has the molecular formula C178H165Br6Cl5N6O34 and a molecular weight of 3588.97 g/mol. Its IUPAC name is 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;5-bromo-2-benzofuran-1,3-dione;5-bromo-5'-chloro-6'-hydroxy-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-1-one;[6-bromo-5'-chloro-3-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-6'-yl] 2,2-dimethylpropanoate;bromomethane;3-(5'-chloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-7'-yl)propanoic acid;5'-chlorospiro[2-benzofuran-3,14'-3,7-dioxa-21-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(25),2(15),4(13),5,11,16-hexaene]-1,8'-dione;2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbonyl)benzoic acid;methyl 3-(3-chloro-2,4-dihydroxyphenyl)propanoate.

Molecular Properties

• Compound Name: 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;5-bromo-2-benzofuran-1,3-dione;5-bromo-5'-chloro-6'-hydroxy-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-1-one;[6-bromo-5'-chloro-3-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-6'-yl] 2,2-dimethylpropanoate;bromomethane;3-(5'-chloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-7'-yl)propanoic acid;5'-chlorospiro[2-benzofuran-3,14'-3,7-dioxa-21-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(25),2(15),4(13),5,11,16-hexaene]-1,8'-dione;2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbonyl)benzoic acid;methyl 3-(3-chloro-2,4-dihydroxyphenyl)propanoate
• PubChem CID: 157255687
• Molecular Formula: C178H165Br6Cl5N6O34
• Molecular Weight: 3588.97 g/mol
• Exact Mass: 3578.49
• IUPAC Name: 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;5-bromo-2-benzofuran-1,3-dione;5-bromo-5'-chloro-6'-hydroxy-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-1-one;[6-bromo-5'-chloro-3-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-6'-yl] 2,2-dimethylpropanoate;bromomethane;3-(5'-chloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-7'-yl)propanoic acid;5'-chlorospiro[2-benzofuran-3,14'-3,7-dioxa-21-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(25),2(15),4(13),5,11,16-hexaene]-1,8'-dione;2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbonyl)benzoic acid;methyl 3-(3-chloro-2,4-dihydroxyphenyl)propanoate
• SMILES: CBr.CBr.CBr.CCC(=O)CCc1cc2c(c(Cl)c1O)Oc1c(cc3c4c1CCCN4CCC3)C21OC(=O)c2ccc(Br)cc21.CCC(=O)CCc1cc2c(c(Cl)c1OC(=O)C(C)(C)C)Oc1c(cc3c4c1CCCN4CCC3)C21OC(=O)c2ccc(Br)cc21.COC(=O)CCc1ccc(O)c(Cl)c1O.O=C(O)CCc1cc2c(c(Cl)c1O)Oc1c(cc3c4c1CCCN4CCC3)C21OC(=O)c2ccccc21.O=C(O)c1ccccc1C(=O)c1cc2c3c(c1O)CCCN3CCC2.O=C1CCc2cc3c(c(Cl)c2O1)Oc1c(cc2c4c1CCCN4CCC2)C31OC(=O)c2ccccc21.O=C1OC(=O)c2cc(Br)ccc21.Oc1ccc2c3c1CCCN3CCC2
• InChI: InChI=1S/C36H35BrClNO6.C31H27BrClNO5.C29H24ClNO6.C29H22ClNO5.C20H19NO4.C12H15NO.C10H11ClO4.C8H3BrO3.3CH3Br/c1-5-22(40)12-10-20-17-27-32(28(38)30(20)44-34(42)35(2,3)4)43-31-24-9-7-15-39-14-6-8-19(29(24)39)16-26(31)36(27)25-18-21(37)11-13-23(25)33(41)45-36;1-2-19(35)9-7-17-14-24-29(25(33)27(17)36)38-28-21-6-4-12-34-11-3-5-16(26(21)34)13-23(28)31(24)22-15-18(32)8-10-20(22)30(37)39-31;30-23-25(34)16(9-10-22(32)33)14-21-27(23)36-26-18-7-4-12-31-11-3-5-15(24(18)31)13-20(26)29(21)19-8-2-1-6-17(19)28(35)37-29;30-23-25-16(9-10-22(32)34-25)14-21-27(23)35-26-18-7-4-12-31-11-3-5-15(24(18)31)13-20(26)29(21)19-8-2-1-6-17(19)28(33)36-29;22-18(13-6-1-2-7-14(13)20(24)25)16-11-12-5-3-9-21-10-4-8-15(17(12)21)19(16)23;14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13;1-15-8(13)5-3-6-2-4-7(12)9(11)10(6)14;9-4-1-2-5-6(3-4)8(11)12-7(5)10;3*1-2/h11,13,16-18H,5-10,12,14-15H2,1-4H3;8,10,13-15,36H,2-7,9,11-12H2,1H3;1-2,6,8,13-14,34H,3-5,7,9-12H2,(H,32,33);1-2,6,8,13-14H,3-5,7,9-12H2;1-2,6-7,11,23H,3-5,8-10H2,(H,24,25);5-6,14H,1-4,7-8H2;2,4,12,14H,3,5H2,1H3;1-3H;3*1H3
• InChIKey: AWWDYPCGUDQKQW-UHFFFAOYSA-N
• XLogP: 37.77
• TPSA: 531.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 18
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3588.97
LogP ≤ 5	37.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;5-bromo-2-benzofuran-1,3-dione;5-bromo-5'-chloro-6'-hydroxy-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-1-one;[6-bromo-5'-chloro-3-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-6'-yl] 2,2-dimethylpropanoate;bromomethane;3-(5'-chloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-7'-yl)propanoic acid;5'-chlorospiro[2-benzofuran-3,14'-3,7-dioxa-21-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(25),2(15),4(13),5,11,16-hexaene]-1,8'-dione;2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbonyl)benzoic acid;methyl 3-(3-chloro-2,4-dihydroxyphenyl)propanoate?

The IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;5-bromo-2-benzofuran-1,3-dione;5-bromo-5'-chloro-6'-hydroxy-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-1-one;[6-bromo-5'-chloro-3-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-6'-yl] 2,2-dimethylpropanoate;bromomethane;3-(5'-chloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-7'-yl)propanoic acid;5'-chlorospiro[2-benzofuran-3,14'-3,7-dioxa-21-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(25),2(15),4(13),5,11,16-hexaene]-1,8'-dione;2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbonyl)benzoic acid;methyl 3-(3-chloro-2,4-dihydroxyphenyl)propanoate (CID 157255687) is 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;5-bromo-2-benzofuran-1,3-dione;5-bromo-5'-chloro-6'-hydroxy-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-1-one;[6-bromo-5'-chloro-3-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-6'-yl] 2,2-dimethylpropanoate;bromomethane;3-(5'-chloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-7'-yl)propanoic acid;5'-chlorospiro[2-benzofuran-3,14'-3,7-dioxa-21-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(25),2(15),4(13),5,11,16-hexaene]-1,8'-dione;2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbonyl)benzoic acid;methyl 3-(3-chloro-2,4-dihydroxyphenyl)propanoate.

What is the SMILES notation for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;5-bromo-2-benzofuran-1,3-dione;5-bromo-5'-chloro-6'-hydroxy-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-1-one;[6-bromo-5'-chloro-3-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-6'-yl] 2,2-dimethylpropanoate;bromomethane;3-(5'-chloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-7'-yl)propanoic acid;5'-chlorospiro[2-benzofuran-3,14'-3,7-dioxa-21-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(25),2(15),4(13),5,11,16-hexaene]-1,8'-dione;2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbonyl)benzoic acid;methyl 3-(3-chloro-2,4-dihydroxyphenyl)propanoate?

The canonical SMILES for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;5-bromo-2-benzofuran-1,3-dione;5-bromo-5'-chloro-6'-hydroxy-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-1-one;[6-bromo-5'-chloro-3-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-6'-yl] 2,2-dimethylpropanoate;bromomethane;3-(5'-chloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-7'-yl)propanoic acid;5'-chlorospiro[2-benzofuran-3,14'-3,7-dioxa-21-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(25),2(15),4(13),5,11,16-hexaene]-1,8'-dione;2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbonyl)benzoic acid;methyl 3-(3-chloro-2,4-dihydroxyphenyl)propanoate is CBr.CBr.CBr.CCC(=O)CCc1cc2c(c(Cl)c1O)Oc1c(cc3c4c1CCCN4CCC3)C21OC(=O)c2ccc(Br)cc21.CCC(=O)CCc1cc2c(c(Cl)c1OC(=O)C(C)(C)C)Oc1c(cc3c4c1CCCN4CCC3)C21OC(=O)c2ccc(Br)cc21.COC(=O)CCc1ccc(O)c(Cl)c1O.O=C(O)CCc1cc2c(c(Cl)c1O)Oc1c(cc3c4c1CCCN4CCC3)C21OC(=O)c2ccccc21.O=C(O)c1ccccc1C(=O)c1cc2c3c(c1O)CCCN3CCC2.O=C1CCc2cc3c(c(Cl)c2O1)Oc1c(cc2c4c1CCCN4CCC2)C31OC(=O)c2ccccc21.O=C1OC(=O)c2cc(Br)ccc21.Oc1ccc2c3c1CCCN3CCC2.

What is the InChIKey of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;5-bromo-2-benzofuran-1,3-dione;5-bromo-5'-chloro-6'-hydroxy-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-1-one;[6-bromo-5'-chloro-3-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-6'-yl] 2,2-dimethylpropanoate;bromomethane;3-(5'-chloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-7'-yl)propanoic acid;5'-chlorospiro[2-benzofuran-3,14'-3,7-dioxa-21-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(25),2(15),4(13),5,11,16-hexaene]-1,8'-dione;2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbonyl)benzoic acid;methyl 3-(3-chloro-2,4-dihydroxyphenyl)propanoate?

The InChIKey is AWWDYPCGUDQKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35BrClNO6.C31H27BrClNO5.C29H24ClNO6.C29H22ClNO5.C20H19NO4.C12H15NO.C10H11ClO4.C8H3BrO3.3CH3Br/c1-5-22(40)12-10-20-17-27-32(28(38)30(20)44-34(42)35(2,3)4)43-31-24-9-7-15-39-14-6-8-19(29(24)39)16-26(31)36(27)25-18-21(37)11-13-23(25)33(41)45-36;1-2-19(35)9-7-17-14-24-29(25(33)27(17)36)38-28-21-6-4-12-34-11-3-5-16(26(21)34)13-23(28)31(24)22-15-18(32)8-10-20(22)30(37)39-31;30-23-25(34)16(9-10-22(32)33)14-21-27(23)36-26-18-7-4-12-31-11-3-5-15(24(18)31)13-20(26)29(21)19-8-2-1-6-17(19)28(35)37-29;30-23-25-16(9-10-22(32)34-25)14-21-27(23)35-26-18-7-4-12-31-11-3-5-15(24(18)31)13-20(26)29(21)19-8-2-1-6-17(19)28(33)36-29;22-18(13-6-1-2-7-14(13)20(24)25)16-11-12-5-3-9-21-10-4-8-15(17(12)21)19(16)23;14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13;1-15-8(13)5-3-6-2-4-7(12)9(11)10(6)14;9-4-1-2-5-6(3-4)8(11)12-7(5)10;3*1-2/h11,13,16-18H,5-10,12,14-15H2,1-4H3;8,10,13-15,36H,2-7,9,11-12H2,1H3;1-2,6,8,13-14,34H,3-5,7,9-12H2,(H,32,33);1-2,6,8,13-14H,3-5,7,9-12H2;1-2,6-7,11,23H,3-5,8-10H2,(H,24,25);5-6,14H,1-4,7-8H2;2,4,12,14H,3,5H2,1H3;1-3H;3*1H3.

What are the key properties of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;5-bromo-2-benzofuran-1,3-dione;5-bromo-5'-chloro-6'-hydroxy-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-1-one;[6-bromo-5'-chloro-3-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-6'-yl] 2,2-dimethylpropanoate;bromomethane;3-(5'-chloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-7'-yl)propanoic acid;5'-chlorospiro[2-benzofuran-3,14'-3,7-dioxa-21-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(25),2(15),4(13),5,11,16-hexaene]-1,8'-dione;2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbonyl)benzoic acid;methyl 3-(3-chloro-2,4-dihydroxyphenyl)propanoate?

1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;5-bromo-2-benzofuran-1,3-dione;5-bromo-5'-chloro-6'-hydroxy-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-1-one;[6-bromo-5'-chloro-3-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-6'-yl] 2,2-dimethylpropanoate;bromomethane;3-(5'-chloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-7'-yl)propanoic acid;5'-chlorospiro[2-benzofuran-3,14'-3,7-dioxa-21-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(25),2(15),4(13),5,11,16-hexaene]-1,8'-dione;2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbonyl)benzoic acid;methyl 3-(3-chloro-2,4-dihydroxyphenyl)propanoate has a molecular weight of 3588.97 g/mol, XLogP of 37.77, 18 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;5-bromo-2-benzofuran-1,3-dione;5-bromo-5'-chloro-6'-hydroxy-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-1-one;[6-bromo-5'-chloro-3-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-6'-yl] 2,2-dimethylpropanoate;bromomethane;3-(5'-chloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-7'-yl)propanoic acid;5'-chlorospiro[2-benzofuran-3,14'-3,7-dioxa-21-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(25),2(15),4(13),5,11,16-hexaene]-1,8'-dione;2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbonyl)benzoic acid;methyl 3-(3-chloro-2,4-dihydroxyphenyl)propanoate is sourced from PubChem (CID 157255687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).