1176 1 2 3 4 5 6 7 8 8 7 7 6 1 1 1 1 1 2 2 2 3 3 3 4 4 5 6 4 7 8 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 4.269 2.5369 3.403 3.403 2 2.5369 3.9399 2.866 0.595 0.595 -0.905 0.095 0.285 1.215 -1.215 -1.215 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 29 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 2 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 00000371800320000000000000000000000000000000000000000000000000000000000000000006001000000000000000000100004000000800000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 urea IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 urea IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 urea IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 urea IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 urea IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 urea InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XSQUKJJJFZCRTK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 60.032362755 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH4N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 60.056 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(N)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 69.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 60.032362755 4 0 0 0 0 0 0 0 1 -1