19910 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 8 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 2 -1 5 1 1 1 2 3 4 4 5 6 6 6 7 8 9 10 10 11 11 12 13 13 14 9 20 5 5 7 14 8 7 8 11 9 10 12 12 15 13 16 17 14 18 19 1 1 1 2 1 2 1 1 2 1 2 1 1 2 1 2 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 2.866 2 3.732 4.626 2.866 3.732 3.732 2.866 2.866 2 4.626 2 5.5321 5.5321 1.4631 4.6188 1.4631 6.0678 6.0678 2.3291 -2.095 2.405 2.405 -1.1297 1.905 0.405 -0.595 0.905 -1.095 0.405 0.9397 -0.595 0.4258 -0.6158 0.715 1.5596 -0.905 0.7379 -0.9279 -2.405 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 6 7 8 9 10 11 13 7 14 7 8 11 9 10 12 12 13 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 229 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 00000371807330000000000000000000000000000000000000003C4000000000000000B1F000001E00040800000C0CC19E043CC6F2185200A1033467470482802031622028D8203F6C9A0A26E2D2D1D384740864C011D8D807B0C0B00E00400100040210000080020008042000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-nitroquinolin-8-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-nitro-8-quinolinol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-nitroquinolin-8-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-nitroquinolin-8-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-nitroquinolin-8-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-nitroquinolin-8-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RJIWZDNTCBHXAL-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 190.03784206 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H6N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 190.16 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 78.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 190.03784206 14 0 0 0 0 0 0 0 1 7