71583 1 2 3 4 5 17 17 17 6 1 5 2 1 2 3 4 4 4 4 5 1 1 1 1 1 5 255 1 2 3 4 5 3.732 2 2.366 2.866 3.176 0.3355 -0.6645 0.7015 -0.1645 -0.7015 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 8 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 00000371000000000600000000000000000000000000000000000000000000000000000000000010020000000000000000C00000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 trichloro(deuterio)methane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 trichloro(deuterio)methane IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 trichloro(deuterio)methane IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 tris(chloranyl)-deuterio-methane IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 trichloro(deuterio)methane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/CHCl3/c2-1(3)4/h1H/i1D InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 HEDRZPFGACZZDS-MICDWDOJSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 118.92066 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 CHCl3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 120.383802 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(Cl)(Cl)Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 [2H]C(Cl)(Cl)Cl 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 2011.09.13 118.92066 4 0 0 0 0 0 0 1 1 1