6423 1 2 3 4 5 6 7 17 17 17 8 8 7 6 4 -1 6 1 1 2 3 4 5 6 7 7 7 6 6 7 1 1 1 1 2 1 1 5 255 1 2 3 4 5 6 7 2 2.366 3.366 4.5981 3.732 3.732 2.866 -0.817 0.549 -1.183 -0.317 1.183 0.183 -0.317 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 79.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 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 00000371000230000600000000000000000000000000000000000000000000000000000000000004020400000000000000800000001040000100000003000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 trichloro(nitro)methane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 trichloro(nitro)methane IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 trichloro(nitro)methane IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 tris(chloranyl)-nitro-methane IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 trichloro(nitro)methane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/CCl3NO2/c2-1(3,4)5(6)7 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 LFHISGNCFUNFFM-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 162.899461 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 CCl3NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 164.3752 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C([N+](=O)[O-])(Cl)(Cl)Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C([N+](=O)[O-])(Cl)(Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 45.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 162.899461 7 0 0 0 0 0 0 0 1 1