6327 1 2 3 4 5 17 6 1 1 1 1 2 2 2 2 3 4 5 1 1 1 1 1 5 255 1 2 3 4 5 2 3 3 3.62 3 0 0 -0.62 0 0.62 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 0 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371000000000400000000000000000000000000000000000000000000000000000000000010020000000000000000400200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 chloromethane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 chloromethane IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 chloromethane IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 chloranylmethane IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 chloromethane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/CH3Cl/c1-2/h1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 NEHMKBQYUWJMIP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 49.992328 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 CH3Cl Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 50.48752 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 49.992328 2 0 0 0 0 0 0 0 1 1