397574 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 8 8 7 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 2 3 3 3 4 4 4 5 5 6 6 7 8 9 9 10 10 11 12 12 13 13 15 15 16 17 17 18 18 19 19 20 11 14 14 5 7 12 6 7 8 8 13 9 14 21 22 10 23 11 17 18 15 24 16 25 16 27 28 19 26 20 29 20 30 31 1 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 2 2 2 1 2 1 1 1 1 1 1 1 1 2 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 4.666 6.3981 7.473 6.3981 7.973 5.5321 6.5011 7.3059 4.666 3.8 3.8 7.973 8.973 5.5321 8.973 9.473 2.9061 2.9061 2 2 6.0397 7.4337 4.666 7.663 9.283 2.9132 9.283 10.093 2.9132 1.4643 1.4643 -2.0146 -2.0146 1.1833 -0.0146 0.3173 -0.5146 0.9741 -0.4198 -0.0146 -0.5146 -1.5146 2.0493 0.3173 -1.5146 2.0493 1.1833 0.02 -2.0493 -0.4938 -1.5355 1.3881 -1.0264 0.6054 2.5862 -0.2197 0.64 2.5862 1.1833 -2.6693 -0.1818 -1.8475 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 3 4 4 5 5 6 6 9 10 10 11 12 13 15 17 18 19 11 14 5 7 12 7 8 8 13 9 14 10 11 17 18 15 16 16 19 20 20 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 431 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 00000371C07A30000000000000000000000000000001600000003C408000000000005881F000001E00000000000C0CC19E043CCEB30C1C00A80334F74C0082882031222008D8213E6CD80C26F2C4B59B863A28E4C011C8E987BCD9E39E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-indolizin-2-ylchromen-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-indolizinyl)-1-benzopyran-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-indolizin-2-ylchromen-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-indolizin-2-ylchromen-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-indolizin-2-ylchromen-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-indolizin-2-ylcoumarin InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H11NO2/c19-17-15(10-12-5-1-2-7-16(12)20-17)13-9-14-6-3-4-8-18(14)11-13/h1-11H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XFCXTAUASKZNKO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 261.078978594 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H11NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 261.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CC=CC4=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CC=CC4=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 30.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 261.078978594 20 0 0 0 0 0 0 0 1 -1