6301 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 17 17 8 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 3 3 4 4 5 5 5 6 7 8 8 9 10 10 11 12 13 14 14 14 9 12 7 21 6 10 6 8 9 7 12 11 15 13 11 14 16 13 17 18 19 20 1 1 1 1 1 2 2 1 1 1 2 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 3.732 2 3.732 5.492 4.5981 4.5981 3.732 5.492 3.732 6.3981 6.3981 2.866 2.866 7.2622 5.4848 6.9338 2.3291 6.9501 7.7979 7.5742 3.1951 2.155 -0.845 -1.845 -0.8797 0.655 -0.345 -0.845 1.1897 1.155 -0.3658 0.6758 -0.345 0.655 -0.8692 1.8096 0.9879 0.965 -1.4049 -1.1812 -0.3334 -2.155 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 5 6 7 8 9 10 12 6 10 6 8 9 7 12 11 13 11 13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 214 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371807220000600000000000000000000000000000000003C4000000000000000B1F000001E02000800000C0E819E2032C6F2081200A00324624404828020216760089820356F980A26E2D3939384700864C011D8D80790C0B00E04200100028318000840020005063000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 5,7-dichloro-2-methyl-quinolin-8-ol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 5,7-dichloro-2-methyl-8-quinolinol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 5,7-dichloro-2-methylquinolin-8-ol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 5,7-bis(chloranyl)-2-methyl-quinolin-8-ol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 5,7-dichloro-2-methyl-quinolin-8-ol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 GPTXWRGISTZRIO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 226.990469 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H7Cl2NO Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 228.07468 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 33.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 226.990469 14 0 0 0 0 0 0 0 1 2