6328 1 2 3 4 5 53 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 3.396 Cactvs xemistry.com 2012.02.08 2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371000000000002000000000000000000000000000000000000000000000000000000000010002000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 iodomethane IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 iodomethane IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 iodomethane IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 iodanylmethane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 iodomethane InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/CH3I/c1-2/h1H3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 INQOMBQAUSQDDS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 1.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 141.927948 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 CH3I Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 141.93899 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CI SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CI Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 141.927948 2 0 0 0 0 0 0 0 1 1