12694 1 2 3 4 5 6 7 8 9 17 17 8 7 6 6 1 1 1 1 2 3 4 4 4 5 5 5 5 6 6 8 9 6 7 1 1 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 2 2.866 3.732 4.5981 2.866 3.732 2.866 5.135 4.5981 0.25 -1.25 1.25 -0.25 -0.25 0.25 0.37 0.06 -0.87 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 62.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 0000037100422000060000000000000000000000000000000000000000000000000000000000001E021000000000038180C00000004000000800011010000000000000000000000000004000000000000000000010000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2-dichloroacetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2-dichloroacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2-dichloroacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2-dichloroacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2-bis(chloranyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2-dichloroacetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H3Cl2NO/c3-1(4)2(5)6/h1H,(H2,5,6) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WCGGWVOVFQNRRS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 126.9591691 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H3Cl2NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 127.95 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(=O)N)(Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(=O)N)(Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 43.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 126.9591691 6 0 0 0 0 0 0 0 1 -1