4172532 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 17 17 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 4 5 6 6 6 7 7 7 8 8 9 9 9 10 10 11 12 12 13 14 14 15 16 11 13 16 17 18 10 16 20 8 17 23 18 24 18 25 26 11 12 14 13 19 15 15 21 22 17 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 2 5.4641 5.4641 3.732 7.1962 3.732 5.4641 5.4641 6.3301 3.732 2.866 4.5981 4.5981 2.866 3.732 4.5981 4.5981 6.3301 5.135 3.1951 2.3291 3.732 6.001 4.9272 6.8671 5.7932 -1.905 -3.905 -0.905 1.095 2.095 -0.905 1.095 2.095 3.595 -1.905 -2.405 -2.405 -3.405 -3.405 -3.905 -0.405 0.595 2.595 -2.095 -0.595 -3.715 -4.525 0.785 2.405 3.905 3.905 8 8 8 8 8 8 10 10 11 12 13 14 11 12 14 13 15 15 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 353 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 4 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C073B000060000000000000000000000000000000000300000000000000000010000001E0218000000080A81902031C082E200008800255250008200002107021EA800806688086022C193B1D42008709400C8C8071000000000001000020000100000200004000020000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 2-(2-carbamoylhydrazino)-N-(2,5-dichlorophenyl)-2-oxo-acetamide IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 2-(carbamoylhydrazo)-N-(2,5-dichlorophenyl)-2-oxoacetamide IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 2-(2-carbamoylhydrazinyl)-N-(2,5-dichlorophenyl)-2-oxoacetamide IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 2-(2-aminocarbonylhydrazinyl)-N-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethanamide IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 N-(2,5-dichlorophenyl)-2-keto-2-semicarbazido-acetamide InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C9H8Cl2N4O3/c10-4-1-2-5(11)6(3-4)13-7(16)8(17)14-15-9(12)18/h1-3H,(H,13,16)(H,14,17)(H3,12,15,18) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 LOFNFTQVDDRCHU-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 1.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 289.997345 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C9H8Cl2N4O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 291.09082 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C1=CC(=C(C=C1Cl)NC(=O)C(=O)NNC(=O)N)Cl SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C1=CC(=C(C=C1Cl)NC(=O)C(=O)NNC(=O)N)Cl Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 113 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 289.997345 18 0 0 0 0 0 0 0 1 20