1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole);methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine

C154H124BrClF9N25O25 — CID 162012871

About 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole);methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine

1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole);methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 162012871) has the molecular formula C154H124BrClF9N25O25 and a molecular weight of 3011.17 g/mol. Its IUPAC name is 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole);methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

• Compound Name: 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole);methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine
• PubChem CID: 162012871
• Molecular Formula: C154H124BrClF9N25O25
• Molecular Weight: 3011.17 g/mol
• Exact Mass: 3007.79
• IUPAC Name: 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole);methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine
• SMILES: CC(=O)CBr.CCOC(=O)C1C2Oc3ccc(O)cc3C21.COC(=O)C1C2Oc3ccc(Oc4ccnc(-c5ncc(C)[nH]5)c4)cc3C21.Cc1cnc(-c2cc(Oc3ccc4c(c3)C3C(O4)C3C(=O)O)ccn2)[nH]1.Cc1cnc(-c2cc(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(C(F)(F)F)cc4[nH]3)ccn2)[nH]1.Cc1cnc(-c2cc(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(C(F)(F)F)cc4[nH]3)ccn2)[nH]1.N#Cc1cc(Cl)ccn1.Nc1ccc(C(F)(F)F)cc1N.[C-]#[N+]c1cc(Oc2ccc3c(c2)C2C(O3)C2C(=O)OCC)ccn1.[H]/N=C(\N)c1cc(Oc2ccc3c(c2)C2C(O3)C2C(=O)OC)ccn1
• InChI: InChI=1S/2C26H18F3N5O2.C20H17N3O4.C19H15N3O4.C18H14N2O4.C17H15N3O4.C12H12O4.C7H7F3N2.C6H3ClN2.C3H5BrO/c2*1-12-11-31-24(32-12)19-10-15(6-7-30-19)35-14-3-5-20-16(9-14)21-22(23(21)36-20)25-33-17-4-2-13(26(27,28)29)8-18(17)34-25;1-10-9-22-19(23-10)14-8-12(5-6-21-14)26-11-3-4-15-13(7-11)16-17(18(16)27-15)20(24)25-2;1-9-8-21-18(22-9)13-7-11(4-5-20-13)25-10-2-3-14-12(6-10)15-16(19(23)24)17(15)26-14;1-3-22-18(21)16-15-12-8-10(4-5-13(12)24-17(15)16)23-11-6-7-20-14(9-11)19-2;1-22-17(21)14-13-10-6-8(2-3-12(10)24-15(13)14)23-9-4-5-20-11(7-9)16(18)19;1-2-15-12(14)10-9-7-5-6(13)3-4-8(7)16-11(9)10;8-7(9,10)4-1-2-5(11)6(12)3-4;7-5-1-2-9-6(3-5)4-8;1-3(5)2-4/h2*2-11,21-23H,1H3,(H,31,32)(H,33,34);3-9,16-18H,1-2H3,(H,22,23);2-8,15-17H,1H3,(H,21,22)(H,23,24);4-9,15-17H,3H2,1H3;2-7,13-15H,1H3,(H3,18,19);3-5,9-11,13H,2H2,1H3;1-3H,11-12H2;1-3H;2H2,1H3
• InChIKey: YTRZLQRLZXGGNW-UHFFFAOYSA-N
• XLogP: 29.71
• TPSA: 692.16 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 27
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3011.17
LogP ≤ 5	29.71
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole);methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine?

The IUPAC name of 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole);methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine (CID 162012871) is 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole);methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine.

What is the SMILES notation for 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole);methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine?

The canonical SMILES for 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole);methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine is CC(=O)CBr.CCOC(=O)C1C2Oc3ccc(O)cc3C21.COC(=O)C1C2Oc3ccc(Oc4ccnc(-c5ncc(C)[nH]5)c4)cc3C21.Cc1cnc(-c2cc(Oc3ccc4c(c3)C3C(O4)C3C(=O)O)ccn2)[nH]1.Cc1cnc(-c2cc(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(C(F)(F)F)cc4[nH]3)ccn2)[nH]1.Cc1cnc(-c2cc(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(C(F)(F)F)cc4[nH]3)ccn2)[nH]1.N#Cc1cc(Cl)ccn1.Nc1ccc(C(F)(F)F)cc1N.[C-]#[N+]c1cc(Oc2ccc3c(c2)C2C(O3)C2C(=O)OCC)ccn1.[H]/N=C(\N)c1cc(Oc2ccc3c(c2)C2C(O3)C2C(=O)OC)ccn1.

What is the InChIKey of 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole);methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine?

The InChIKey is YTRZLQRLZXGGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H18F3N5O2.C20H17N3O4.C19H15N3O4.C18H14N2O4.C17H15N3O4.C12H12O4.C7H7F3N2.C6H3ClN2.C3H5BrO/c2*1-12-11-31-24(32-12)19-10-15(6-7-30-19)35-14-3-5-20-16(9-14)21-22(23(21)36-20)25-33-17-4-2-13(26(27,28)29)8-18(17)34-25;1-10-9-22-19(23-10)14-8-12(5-6-21-14)26-11-3-4-15-13(7-11)16-17(18(16)27-15)20(24)25-2;1-9-8-21-18(22-9)13-7-11(4-5-20-13)25-10-2-3-14-12(6-10)15-16(19(23)24)17(15)26-14;1-3-22-18(21)16-15-12-8-10(4-5-13(12)24-17(15)16)23-11-6-7-20-14(9-11)19-2;1-22-17(21)14-13-10-6-8(2-3-12(10)24-15(13)14)23-9-4-5-20-11(7-9)16(18)19;1-2-15-12(14)10-9-7-5-6(13)3-4-8(7)16-11(9)10;8-7(9,10)4-1-2-5(11)6(12)3-4;7-5-1-2-9-6(3-5)4-8;1-3(5)2-4/h2*2-11,21-23H,1H3,(H,31,32)(H,33,34);3-9,16-18H,1-2H3,(H,22,23);2-8,15-17H,1H3,(H,21,22)(H,23,24);4-9,15-17H,3H2,1H3;2-7,13-15H,1H3,(H3,18,19);3-5,9-11,13H,2H2,1H3;1-3H,11-12H2;1-3H;2H2,1H3.

What are the key properties of 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole);methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine?

1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole);methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 3011.17 g/mol, XLogP of 29.71, 27 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole);methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 162012871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).