6374 1 2 3 4 5 53 53 53 6 1 1 2 3 4 4 4 4 5 1 1 1 1 1 5 255 1 2 3 4 5 3.732 2 2.866 2.866 2.866 0.75 0.75 -0.75 0.25 0.87 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 8 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 00000371000000000003000000000000000000000000000000000000000000000000000000000010002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 iodoform IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 iodoform IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 iodoform IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 tris(iodanyl)methane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 iodoform InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/CHI3/c2-1(3)4/h1H InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 OKJPEAGHQZHRQV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 2.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 393.721244 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 CHI3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 393.73205 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(I)(I)I SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C(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 2012.02.08 393.721244 4 0 0 0 0 0 0 0 1 1