6278 1 2 3 4 5 6 7 8 17 17 17 6 6 1 1 1 1 2 3 4 5 5 5 4 4 4 5 6 7 8 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 3.732 2 2.366 2.866 3.366 2.8291 3.676 3.903 0.5 -0.5 0.866 0 -0.866 -1.176 -1.403 -0.556 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 26.4 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371004000000600000000000000000000000000000000000000000000000000000000000018020000000000028000800200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1-trichloroethane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1-trichloroethane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1-trichloroethane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1-trichloroethane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1-tris(chloranyl)ethane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1-trichloroethane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UOCLXMDMGBRAIB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 131.930033 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H3Cl3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 133.40 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(Cl)(Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(Cl)(Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 131.930033 5 0 0 0 0 0 0 0 1 -1