1923 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 5 6 6 7 7 8 8 9 10 10 11 5 18 4 11 4 6 7 5 8 9 12 10 13 9 14 15 11 16 17 1 1 1 2 2 1 1 1 2 2 1 2 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 2.866 4.626 3.732 3.732 2.866 2.866 4.626 2 2 5.5321 5.5321 2.866 4.6188 1.4631 1.4631 6.0678 6.0678 2.3291 -1.3623 -0.397 1.1377 0.1377 -0.3623 1.6377 1.6723 0.1377 1.1377 1.1585 0.1169 2.2577 2.2923 -0.1723 1.4477 1.4706 -0.1952 -1.6723 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 3 4 5 6 7 8 10 4 11 4 6 7 5 8 9 10 9 11 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 138 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 00000371807220000000000000000000000000000000000000003C4000000000000000B1F000001E00000800000C0CC19E043CC6F2081200A0033467440482802031622008D8203F6C980A26E2D2919384700864C011D8D80790C0B00E00000100000210000000020000042000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 quinolin-8-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 8-quinolinol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 quinolin-8-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 quinolin-8-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 quinolin-8-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 oxine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MCJGNVYPOGVAJF-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 145.052763847 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H7NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 145.16 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C(=C1)O)N=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C(=C1)O)N=CC=C2 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 2021.10.14 145.052763847 11 0 0 0 0 0 0 0 1 -1