70043926 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 8 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 6 6 6 7 7 7 9 9 10 11 11 12 12 13 13 14 8 5 9 11 4 5 10 6 15 16 8 7 17 18 8 19 20 10 12 21 13 22 14 23 14 24 25 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 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 3.6624 5.0274 3.7183 2.7029 4.0274 2 2.3219 3.3424 5.3364 4.5274 5.7123 6.3518 6.7328 7.0547 2.9426 2.1806 1.6208 1.4518 1.7081 2.3034 4.5274 5.5139 6.5365 7.1459 7.6607 -1.6355 0.0967 1.0477 1.28 0.0967 0.5113 -0.4794 -0.6881 1.0477 1.6355 -0.6881 1.28 -0.4794 0.5113 1.8518 1.6139 1.0018 0.2216 -0.5672 -1.0991 2.2555 -1.2755 1.8718 -0.9417 0.6425 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 9 9 11 12 13 5 9 11 5 10 10 12 13 14 14 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 251 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 00000371C07220000000000000000000000000000001600000003C400000000000005801E000001E00000000000C0CC19E043CC0B30C1800A803B477440082802037022008D821B864D80820F2C095B1842108608000C8C9071889C09E00000000000000000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydro-1H-pyrido[1,2-a]indol-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydro-1H-pyrido[1,2-a]indol-4-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydro-1<I>H</I>-pyrido[1,2-a]indol-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydro-1H-pyrido[1,2-a]indol-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydro-1H-pyrido[1,2-a]indol-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydro-1H-pyrid[1,2-a]indol-4-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H11NO/c14-11-6-3-4-9-8-10-5-1-2-7-13(10)12(9)11/h1-2,5,7-8H,3-4,6H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SYXXIYMVBSGPDV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 185.084063974 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H11NO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 185.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2=C(C(=O)C1)N3C=CC=CC3=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2=C(C(=O)C1)N3C=CC=CC3=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 21.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 185.084063974 14 0 0 0 0 0 0 0 1 -1