10901 1 2 3 4 5 6 7 8 7 7 6 6 1 1 1 1 1 1 1 2 3 3 3 3 7 8 4 4 5 6 1 1 1 3 1 1 1 1 5 255 1 2 3 4 5 6 7 8 2.5369 5.135 3.403 4.269 3.0044 3.8015 2 2.5369 -0.06 0.44 -0.56 -0.06 -1.035 -1.035 -0.37 0.56 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 39.2 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 0000037180430000000000000000000000000000000000000000000000000000000000000000001C00100000000000C100040000004000001004000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoacetonitrile IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoacetonitrile IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoacetonitrile IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoacetonitrile IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-azanylethanenitrile IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoacetonitrile InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H4N2/c3-1-2-4/h1,3H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DFNYGALUNNFWKJ-UHFFFAOYSA-N Log P XLogP3 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 56.037448136 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H4N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 56.07 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C#N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(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 56.037448136 4 0 0 0 0 0 0 0 1 -1