7003 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 17 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 2 3 3 4 5 5 6 6 7 7 8 8 9 10 10 11 4 3 4 6 5 7 8 9 12 10 13 11 14 9 15 16 11 17 18 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 2.866 3.732 3.732 2.866 2.866 4.626 4.626 2 2 5.5321 5.5321 2.866 4.6188 4.6188 1.4631 1.4631 6.0678 6.0678 -1.5173 -0.0173 0.9827 -0.5173 1.4827 -0.552 1.5173 -0.0173 0.9827 -0.0381 1.0035 2.1027 -1.172 2.1373 -0.3273 1.2927 -0.3502 1.3156 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 4 5 6 7 8 10 3 4 6 5 7 8 9 10 11 9 11 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 133 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180700000040000000000000000000000000000000000306000000000000000C15000001802000000000C028018203000C00000008002204200000200002005000888000002880820228113108020002080000888070080800E80000020001100000000004000220000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloronaphthalene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloronaphthalene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloronaphthalene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloronaphthalene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloranylnaphthalene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloronaphthalene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JTPNRXUCIXHOKM-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 162.0236279 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H7Cl Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 162.61 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=CC=C2Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=CC=C2Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 162.0236279 11 0 0 0 0 0 0 0 1 -1