967940 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 17 9 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 6 6 7 7 8 9 9 10 10 11 11 12 12 14 14 15 15 13 16 5 8 6 7 8 9 10 11 17 12 18 19 14 20 15 21 13 22 13 23 16 24 16 25 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 2 1 2 1 1 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 2.866 3.732 3.732 2.866 3.732 2 3.732 2.866 4.5981 2.866 2 3.732 2.866 4.5981 2.866 3.732 1.4631 4.269 2.3291 5.135 2.3291 1.4631 4.269 5.135 2.3291 -4.25 4.25 0.25 -1.25 1.25 -1.75 -1.75 -0.25 1.75 1.75 -2.75 -2.75 -3.25 2.75 2.75 3.25 -1.44 -1.44 0.06 1.44 1.44 -3.06 -3.06 3.06 3.06 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 7 9 10 11 12 14 15 6 7 9 10 11 12 14 15 13 13 16 16 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 228 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0720100040000000000000000000000000000000000306000000000000000014000001D02000000000C0AC1182C30C082000000A002346344008200002007000888002066980820A281939180200060800008C8071080000E04000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (4-chlorobenzylidene)-(4-fluorophenyl)amine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C13H9ClFN/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-9H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 OPIWCWJBWSGFJD-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 233.040755 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C13H9ClFN Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 233.668663 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=CC=C1C=NC2=CC=C(C=C2)F)Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=CC=C1C=NC2=CC=C(C=C2)F)Cl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 12.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 233.040755 16 0 0 0 0 0 0 0 1 1