3544537 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 29 30 31 17 17 17 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 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 8 9 9 10 10 11 11 12 12 13 14 14 16 16 16 17 17 18 18 13 15 19 5 8 23 6 9 20 7 21 22 8 11 10 13 14 12 16 15 24 15 25 17 18 26 27 28 29 19 30 19 31 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 5 4 6 9 20 3 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 29 30 31 7.1279 2 10.1279 5.5443 6.1279 5.5443 4.5981 4.5981 7.1279 3.732 3.732 2.866 7.6279 7.6279 2.866 3.732 8.6279 8.6279 9.1279 6.4096 5.2933 6.0817 5.7369 3.732 2.3291 7.3179 4.352 3.732 3.112 8.9379 8.9379 -1.866 -1.134 -0.134 0.6708 -0.134 -0.9387 -0.634 0.366 -0.134 0.866 -1.134 0.366 -1 0.7321 -0.634 1.866 -1 0.7321 -0.134 -0.6863 -1.5056 -1.2479 1.2601 -1.754 0.676 1.269 1.866 2.486 1.866 -1.5369 1.269 3 8 8 8 8 8 8 8 8 8 8 8 8 5 7 7 8 9 9 10 11 12 13 14 17 18 9 8 11 10 13 14 12 15 15 17 18 19 19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 325 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 1 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C0720000060000000000000000000000000160000000306000000000000058014000001C02100000000C2AC1182432C082C00000800224424000820000210500088880084688082022C19391842008609000C8C8071080C00E04004220008300000800844001060000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 5-chloro-2-(2,4-dichlorophenyl)-7-methyl-indoline IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 5-chloro-2-(2,4-dichlorophenyl)-7-methyl-2,3-dihydro-1H-indole IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 5-chloro-2-(2,4-dichlorophenyl)-7-methyl-2,3-dihydro-1H-indole IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 5-chloranyl-2-(2,4-dichlorophenyl)-7-methyl-2,3-dihydro-1H-indole IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 5-chloro-2-(2,4-dichlorophenyl)-7-methyl-indoline InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C15H12Cl3N/c1-8-4-11(17)5-9-6-14(19-15(8)9)12-3-2-10(16)7-13(12)18/h2-5,7,14,19H,6H2,1H3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 LNWUDEQWVZBQIR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 5.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 311.003532 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C15H12Cl3N Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 312.62148 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CC1=C2C(=CC(=C1)Cl)CC(N2)C3=C(C=C(C=C3)Cl)Cl SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CC1=C2C(=CC(=C1)Cl)CC(N2)C3=C(C=C(C=C3)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 12 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 311.003532 19 1 0 1 0 0 0 0 1 1