277 1 2 3 4 5 6 7 8 8 7 6 1 1 1 1 1 2 3 3 3 4 7 4 4 5 6 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 4.269 3.403 2.5369 3.403 2 2.5369 4.8059 0.44 -1.06 0.44 -0.06 0.13 1.06 0.13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 33 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371000230000000000000000000000000000000000000000000000000000000000000000006001008000000000000000008004002000800000018000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbamic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbamic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbamic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbamic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbamic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbamic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KXDHJXZQYSOELW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 61.016378338 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH3NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 61.040 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(N)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(N)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 63.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 61.016378338 4 0 0 0 0 0 0 0 1 -1