70679965 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 8 7 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 9 10 11 11 12 12 13 13 14 14 15 16 16 17 9 4 8 9 6 10 13 5 6 18 7 19 20 21 22 8 11 12 10 14 16 23 17 24 15 25 15 26 27 17 28 29 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 1 1 2 1 1 4 2 5 6 18 3 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 5.3665 3.6344 3.6344 2.7684 2.0314 2.7684 2.4365 3.4252 4.5005 4.5005 2 4.046 3.8436 5.2375 4.8324 2.6014 3.6313 2.2017 1.666 1.4949 2.5564 2.1578 1.3826 4.6619 3.4296 5.8442 5.1424 2.3466 3.9972 -0.1091 -0.1091 1.8909 0.3909 -0.2762 1.3909 -1.1839 -1.0809 0.3909 1.3909 -2.1229 -1.9096 2.8627 2.058 2.9658 -2.9658 -2.8584 0.6424 0.2247 -0.5869 1.9735 1.2833 -2.18 -1.8382 3.3242 1.9302 3.5027 -3.531 -3.359 8 8 3 8 8 8 8 8 8 8 8 8 3 3 4 7 7 8 10 11 12 13 14 16 10 13 5 8 11 12 14 16 17 15 15 17 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 343 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0732000000000000000000000000000000162C000003C400000000000005801C000001E00000000000C28C19E043CC0930C1000A8033577540082802037022008D821B864D80860F2C095B1942108608600C8C9871881800E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,12,14-pentaen-16-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,12,14-pentaen-16-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,11-diazatetracyclo[7.7.0.0<SUP>2,7</SUP>.0<SUP>11,15</SUP>]hexadeca-2,4,6,12,14-pentaen-16-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,12,14-pentaen-16-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,12,14-pentaen-16-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,12,14-pentaen-16-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H12N2O/c17-14-13-6-3-7-15(13)9-11-8-10-4-1-2-5-12(10)16(11)14/h1-7,11H,8-9H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 JYUMOKUCVYBIKV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.094963011 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H12N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C2CN3C=CC=C3C(=O)N2C4=CC=CC=C41 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C2CN3C=CC=C3C(=O)N2C4=CC=CC=C41 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 25.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.094963011 17 1 0 1 0 0 0 0 1 -1