260645 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 17 8 8 8 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 3 -1 6 1 1 2 2 3 4 5 5 6 7 7 7 8 9 10 11 12 13 13 14 14 15 11 9 20 6 6 8 15 10 8 11 13 9 10 12 12 16 14 17 15 18 19 1 1 1 1 2 1 2 1 1 2 1 2 1 2 1 1 2 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 4.5981 4.5981 2 2.866 6.358 2.866 5.4641 5.4641 4.5981 3.732 4.5981 3.732 6.358 7.2641 7.2641 3.1951 6.3509 7.7998 7.7998 5.135 2.155 -1.845 -0.345 -1.845 -0.8797 -0.845 0.655 -0.345 -0.845 -0.345 1.155 0.655 1.1897 0.6758 -0.3658 0.965 1.8096 0.9879 -0.6779 -2.155 8 8 8 8 8 8 8 8 8 8 8 5 5 7 7 7 8 9 10 11 13 14 8 15 8 11 13 9 10 12 12 14 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 258 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 00000371807330000400000000000000000000000000000000003C4000000000000000B1F000001E02040800000C0EC19E243CC6F2185200A1033467470482802031672028D8203D6E9A0A26E2D3D3D384740864C051D8D80790C0B00E0820010006031000104002000C062000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-7-nitro-quinolin-8-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-7-nitro-8-quinolinol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-7-nitroquinolin-8-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-7-nitroquinolin-8-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloranyl-7-nitro-quinolin-8-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-7-nitro-quinolin-8-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H5ClN2O3/c10-6-4-7(12(14)15)9(13)8-5(6)2-1-3-11-8/h1-4,13H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YMZCBKSIFLQQEM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 223.9988697 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H5ClN2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 224.60 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C=C(C(=C2N=C1)O)[N+](=O)[O-])Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C=C(C(=C2N=C1)O)[N+](=O)[O-])Cl 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 2021.10.14 223.9988697 15 0 0 0 0 0 0 0 1 -1