10487 1 2 3 4 5 53 53 53 53 6 1 2 3 4 5 5 5 5 1 1 1 1 1 5 255 1 2 3 4 5 3.732 2 2.366 3.366 2.866 0.5 -0.5 0.866 -0.866 0 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 19.1 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 00000371000000000003800000000000000000000000000000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 tetraiodomethane IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 tetraiodomethane IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 tetraiodomethane IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 tetrakis(iodanyl)methane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 tetraiodomethane InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/CI4/c2-1(3,4)5 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 JOHCVVJGGSABQY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 3.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 519.617892 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 CI4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 519.62858 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(I)(I)(I)I SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C(I)(I)(I)I 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 2012.02.08 519.617892 5 0 0 0 0 0 0 0 1 1