3391107 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 17 17 9 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 4 4 5 5 6 6 6 7 8 9 10 10 11 11 12 12 13 13 15 16 16 17 17 18 18 19 19 9 14 20 7 13 8 15 7 8 9 11 10 12 14 21 15 22 14 23 16 17 24 18 25 19 26 20 27 20 28 1 1 1 1 1 2 1 2 1 1 1 1 2 2 1 2 1 1 1 2 1 1 1 1 2 1 2 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 22 23 24 25 26 27 28 3.732 2 8.9212 5.4804 5.492 4.5981 5.492 4.5981 3.732 3.732 6.3981 2.866 6.3406 2.866 6.3981 6.3291 7.2124 7.1893 8.0726 8.061 3.732 6.9338 2.3291 6.9338 5.7886 7.2196 7.1821 8.6131 0.4801 -2.5199 2.5546 0.5147 -2.5546 -1.0199 -0.4853 -2.0199 -0.5199 -2.5199 -0.9991 -1.0199 1.0246 -2.0199 -2.0407 2.0246 0.5347 2.5346 1.0447 2.0446 -3.1399 -0.687 -0.7099 -2.3528 2.3284 -0.0853 3.1545 0.7409 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 6 7 8 9 10 11 12 13 13 16 17 18 19 8 15 7 8 9 11 10 12 14 15 14 16 17 18 19 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 325 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07221000600000000000000000000000000000000003C6080000000000000B1F400001F02000000000C0EC19E2C3CC6F2081400A0033467440082882031272008D8203E6E980C2662C5B39B863828E6C019C8E80790C0A00E04000000028300000800000005060000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,7-dichloro-4-(4-fluorophenoxy)quinoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,7-dichloro-4-(4-fluorophenoxy)quinoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,7-dichloro-4-(4-fluorophenoxy)quinoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,7-dichloro-4-(4-fluorophenoxy)quinoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,7-bis(chloranyl)-4-(4-fluoranylphenoxy)quinoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,7-dichloro-4-(4-fluorophenoxy)quinoline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WRPIRSINYZBGPK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 306.9966974 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H8Cl2FNO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 308.1 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 22.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 306.9966974 20 0 0 0 0 0 0 0 1 -1