71208 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 8 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 6 7 7 8 8 9 10 10 10 11 11 12 6 21 5 12 4 5 8 7 10 6 9 9 13 11 14 15 16 17 18 12 19 20 1 1 1 2 2 1 1 1 1 2 1 2 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 2.866 4.626 3.732 2.866 3.732 2.866 2 4.626 2 2.866 5.5321 5.5321 1.4631 4.6188 1.4631 3.486 2.866 2.246 6.0678 6.0678 2.3291 -1.845 -0.8797 0.655 1.155 -0.345 -0.845 0.655 1.1897 -0.345 2.155 0.6758 -0.3658 0.965 1.8096 -0.655 2.155 2.775 2.155 0.9879 -0.6779 -2.155 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 3 4 5 6 7 8 11 5 12 4 5 8 7 6 9 9 11 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 160 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371C07220000000000000000000000000000000000000003C4000000000000000B1F000001E00000800000C0CC19E043EC6F2081200A0033467440482802031622008D8203F6C980A26E2D2919384700864C011D8D80790C0B00EA0000140001210004000028000242000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylquinolin-8-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methyl-8-quinolinol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylquinolin-8-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylquinolin-8-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylquinolin-8-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylquinolin-8-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H9NO/c1-7-4-5-9(12)10-8(7)3-2-6-11-10/h2-6,12H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RPVGLMKJGQMQSN-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 159.068413911 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H9NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 159.18 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C2C=CC=NC2=C(C=C1)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C2C=CC=NC2=C(C=C1)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 33.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 159.068413911 12 0 0 0 0 0 0 0 1 -1