2788 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 53 17 8 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 2 3 3 4 4 5 5 5 6 7 8 9 9 10 11 12 12 13 10 8 7 18 6 13 6 8 9 7 10 11 12 14 11 15 13 16 17 1 1 1 1 1 2 2 1 1 1 2 2 2 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 3.732 3.732 5.492 4.5981 4.5981 3.732 3.732 5.492 2.866 2.866 6.3981 6.3981 5.4848 2.3291 6.9338 6.9338 3.1951 -0.845 2.155 -1.845 -0.8797 0.655 -0.345 -0.845 1.155 1.1897 -0.345 0.655 0.6758 -0.3658 1.8096 0.965 0.9879 -0.6779 -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 13 6 8 9 7 10 11 12 11 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 193 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 00000371807220000402000000000000000000000000000000003C4000000000000000B1F000001E02200800000C0EC39E243CC6F2081200A0033467440482802031672008D8203D6E980A26E2D3939384700864C011D8D80790C0B00E00200100020310000040020004062000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-7-iodo-quinolin-8-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-7-iodo-8-quinolinol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-7-iodoquinolin-8-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-7-iodoquinolin-8-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloranyl-7-iodanyl-quinolin-8-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-7-iodo-quinolin-8-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QCDFBFJGMNKBDO-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 304.91044 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H5ClINO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 305.50 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1 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 2021.10.14 304.91044 13 0 0 0 0 0 0 0 1 18