9212 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 7 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 2 2 3 3 4 4 5 5 6 6 7 8 8 9 9 10 10 11 11 12 12 13 13 14 15 2 3 16 4 8 5 9 6 10 7 11 7 17 18 12 19 13 20 14 21 15 22 14 23 15 24 25 26 1 1 1 1 2 1 2 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 2 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 4.883 3.982 5.784 3.7595 6.0065 4.383 5.383 3.2295 6.5365 2.769 6.997 2.2318 7.5342 2 7.766 4.883 4.114 5.652 3.3744 6.3916 2.638 7.128 1.7789 7.9871 1.4083 8.3578 -0.7853 -0.3514 -0.3514 0.6235 0.6235 1.4053 1.4053 -1.0716 -1.0716 0.9458 0.9458 -0.7723 -0.7723 0.2433 0.2432 -1.4053 1.9639 1.9639 -1.6744 -1.6744 1.5518 1.5518 -1.1957 -1.1958 0.4283 0.4282 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 5 8 9 10 11 12 13 4 8 5 9 10 11 12 13 14 15 14 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 222 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0720000000000000000000000000000000000000000306000000400000000014000001C00100000000C0881180030C082C00000800224424000820000210200088800006488082062C09191842008609000C8C8071080000E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 11H-benzo[b][1]benzazepine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 11H-benzo[b][1]benzazepine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 11<I>H</I>-benzo[b][1]benzazepine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 11H-benzo[b][1]benzazepine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 11H-benzo[b][1]benzazepine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 11H-benzo[b][1]benzazepine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LCGTWRLJTMHIQZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 193.089149355 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H11N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 193.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 12 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 193.089149355 15 0 0 0 0 0 0 0 1 -1