9864 1 2 3 4 5 7 7 6 1 1 1 1 1 2 3 4 5 3 1 1 1 3 1 5 255 1 2 3 4 5 3.732 2 2.866 4.269 3.732 0.19 -0.81 -0.31 -0.12 0.81 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 29.3 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 1 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 00000371000300000000000000000000000000000000000000000000000000000000000000000004001000000000000000000100004000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyanamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH2N2/c2-1-3/h2H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XZMCDFZZKTWFGF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 42.021798072 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH2N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 42.040 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(#N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(#N)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 42.021798072 3 0 0 0 0 0 0 0 1 -1