149686 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 8 8 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 7 7 8 8 9 9 10 10 11 11 12 4 5 6 6 7 16 5 6 13 14 15 8 9 10 17 11 18 12 19 12 20 21 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 4 1 5 6 13 3 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 3.232 4.5981 2.866 3.732 4.232 3.732 2.866 2 3.732 2 3.732 2.866 3.1332 4.8147 4.3397 2.3291 1.4631 4.269 1.4631 4.269 2.866 2.683 0.317 0.317 1.817 2.683 0.817 -0.683 -1.183 -1.183 -2.183 -2.183 -2.683 1.6565 2.471 3.2936 0.627 -0.873 -0.873 -2.493 -2.493 -3.303 3 8 8 8 8 8 8 4 7 7 8 9 10 11 6 8 9 10 11 12 12 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 175 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0723000000000000000000000001200000000000000300000000000000000010000001E0010000000081CA1900230C082C004008800255250028200002102000888014064880A2026C0919585200862B400D8C8071000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N-phenyloxirane-2-carboxamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N-phenyl-2-oxiranecarboxamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N-phenyloxirane-2-carboxamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N-phenyloxirane-2-carboxamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 N-phenyloxirane-2-carboxamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C9H9NO2/c11-9(8-6-12-8)10-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 SVTVTMBNDSAORT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 163.063329 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C9H9NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 163.17326 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1C(O1)C(=O)NC2=CC=CC=C2 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1C(O1)C(=O)NC2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 41.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 163.063329 12 1 0 1 0 0 0 0 1 3