71103215 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 8 7 7 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 2 2 2 3 3 3 4 4 5 5 6 7 8 8 9 10 10 11 11 12 12 13 14 14 15 15 16 17 17 17 18 18 18 6 4 6 8 7 15 17 5 11 9 10 7 14 9 19 20 12 21 13 22 13 18 23 16 24 16 25 26 27 28 29 30 31 32 2 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 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 5.1871 5.5443 7.5754 4.5981 4.5981 5.855 6.8335 6.1279 5.5443 3.732 3.732 2.866 2.866 7.2418 8.4423 8.2361 7.4692 2 6.7479 5.7369 3.732 3.732 2.3291 6.9327 9.0083 8.6518 8.0857 7.4033 6.8527 2.31 1.4631 1.69 -1.5624 0.1324 -0.3539 0.4372 1.4372 -0.8181 -1.0243 0.9372 1.7419 1.9372 -0.0628 1.4372 0.4372 -1.9372 -0.8524 -1.8309 0.6404 1.9372 0.9372 2.3312 2.5572 -0.6828 0.1272 -2.4746 -0.5992 -2.2909 0.7063 1.2569 0.5746 2.4741 2.2472 1.4002 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 5 5 7 8 10 11 12 14 15 4 8 7 15 5 11 9 10 14 9 12 13 13 16 16 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 331 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0732000000000000000000000000000000162C0000030000000000000005801FC00001E00000000000C08C19E043EC0F30C1000A8033577540082802037022008D821B864D80860F2C095B1942108608600C8C9871881C00E08000200000200001000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5-methylindol-1-yl)-(1-methylpyrrol-2-yl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5-methyl-1-indolyl)-(1-methyl-2-pyrrolyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5-methylindol-1-yl)-(1-methylpyrrol-2-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5-methylindol-1-yl)-(1-methylpyrrol-2-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5-methylindol-1-yl)-(1-methylpyrrol-2-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5-methylindol-1-yl)-(1-methylpyrrol-2-yl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H14N2O/c1-11-5-6-13-12(10-11)7-9-17(13)15(18)14-4-3-8-16(14)2/h3-10H,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ODUPMPCTUSQLSO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.110613074 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H14N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=C(C=C1)N(C=C2)C(=O)C3=CC=CN3C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=C(C=C1)N(C=C2)C(=O)C3=CC=CN3C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 26.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.110613074 18 0 0 0 0 0 0 0 1 -1