5477815 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 8 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 5 6 6 7 7 7 8 9 9 10 11 12 12 13 13 14 15 16 16 17 17 18 19 19 20 20 21 21 22 22 22 23 24 14 8 10 4 11 29 19 33 25 38 39 25 40 8 9 12 11 10 13 16 14 15 26 17 27 15 28 18 30 18 31 32 20 21 23 34 24 35 23 24 25 36 37 2 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 8.0321 4.5274 6.6498 7.6255 9.7931 8.1398 5.0274 5.3364 4.0274 3.7183 6.3518 5.7123 3.3424 7.0547 6.7328 2.7029 2.3219 2 7.9235 7.2458 8.8991 8.5195 7.5438 9.1971 8.8175 5.5139 3.5408 7.1459 6.2296 2.5182 1.9088 1.394 8.0456 6.6409 9.3193 7.1236 9.8021 9.9779 10.2133 8.3245 -2.7326 -1.8201 -1.221 -1.0018 3.0357 3.5518 -3.3589 -2.4078 -3.3589 -2.4078 -2.1756 -4.1436 -4.1436 -2.9443 -3.9349 -2.1756 -3.9349 -2.9443 -0.0473 0.6881 0.172 1.8619 1.6427 1.1265 2.8164 -4.731 -4.731 -4.3973 -0.7651 -1.5838 -4.3973 -2.813 -1.4577 0.5522 -0.284 2.0986 1.2624 3.6275 2.5797 4.1436 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 13 16 17 19 19 20 21 22 22 10 13 16 17 18 18 20 21 23 24 23 24 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 817 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07BA000000000000000000000000000000100000000304080000000000040010000001E00180000000C0C81980031C082620000A803A6726400820400A0020218A800B064D80820A280919180200060900008C9C71080000E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[2-(2-oxocarbazol-1-yl)hydrazino]benzamidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(2-oxo-1-carbazolyl)hydrazo]benzenecarboximidamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[2-(2-oxocarbazol-1-yl)hydrazinyl]benzenecarboximidamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[2-(2-oxocarbazol-1-yl)hydrazinyl]benzenecarboximidamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[2-(2-oxidanylidenecarbazol-1-yl)hydrazinyl]benzenecarboximidamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[N'-(2-ketocarbazol-1-yl)hydrazino]benzamidine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H15N5O/c20-19(21)11-5-7-12(8-6-11)23-24-18-16(25)10-9-14-13-3-1-2-4-15(13)22-17(14)18/h1-10,23-24H,(H3,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BTIGQDODPSPLRW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.12766012 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H15N5O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C3C=CC(=O)C(=C3N=C2C=C1)NNC4=CC=C(C=C4)C(=N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C3C=CC(=O)C(=C3N=C2C=C1)NNC4=CC=C(C=C4)C(=N)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 103 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.12766012 25 0 0 0 0 0 0 0 1 -1