22544 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 17 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 6 6 7 7 8 8 8 9 10 11 12 12 12 13 13 13 9 11 12 13 5 11 5 6 8 7 9 14 10 15 16 17 18 10 19 20 21 22 23 24 25 26 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 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 21 22 23 24 25 26 3.732 4.5981 3.732 2.866 3.732 2.866 4.5981 2 3.732 4.5981 4.5981 5.4641 3.732 2.3291 5.135 2.31 1.4631 1.69 5.135 5.135 5.7741 6.001 5.1541 4.042 3.1951 3.422 -3 2.5 1 -0.5 0 -1.5 -0.5 0 -2 -1.5 1.5 3 3 -1.81 -0.19 0.5369 0.31 -0.5369 -1.81 1.19 2.4631 3.31 3.5369 3.5369 3.31 2.4631 8 8 8 8 8 8 4 4 5 6 7 9 5 6 7 9 10 10 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 180 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 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 00000371C0730000040000000000000000000000000000000000300000000000000000010000001C02000000000C0A81182433C083000000A0022443640082000120070009880008668808202281939180200060800008C8071080000E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N'-(4-chloro-2-methyl-phenyl)-N,N-dimethyl-formamidine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N'-(4-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N'-(4-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N'-(4-chloranyl-2-methyl-phenyl)-N,N-dimethyl-methanimidamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 N'-(4-chloro-2-methyl-phenyl)-N,N-dimethyl-formamidine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 STUSTWKEFDQFFZ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 196.076726 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H13ClN2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 196.67662 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC1=C(C=CC(=C1)Cl)N=CN(C)C SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC1=C(C=CC(=C1)Cl)N=CN(C)C Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 15.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 196.076726 13 0 0 0 0 0 0 0 1 1