6574 1 2 3 4 5 6 7 8 17 17 17 6 6 1 1 1 1 2 3 4 4 5 5 4 4 5 5 6 7 8 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 2 2.866 4.5981 2.866 3.732 2.866 4.1306 3.3335 0.75 -0.75 0.25 0.25 0.75 0.87 1.225 1.225 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 18.9 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371004000000600000000000000000000000000000000000000000000000000000000000018020000000000038000C00000000000000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2-trichloroethane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2-trichloroethane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2-trichloroethane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2-trichloroethane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2-tris(chloranyl)ethane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2-trichloroethane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UBOXGVDOUJQMTN-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.9 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 C(C(Cl)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(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