3614086 1 2 3 4 5 6 7 8 7 7 7 7 6 6 1 1 2 1 4 -1 1 1 2 3 5 5 5 2 5 4 6 6 7 8 2 1 2 3 1 1 1 1 5 255 1 2 3 4 5 6 7 8 3.732 2.866 6.3301 2 4.5981 5.4641 4.9966 4.1996 -0.25 0.25 -0.75 0.75 0.25 -0.25 0.7249 0.7249 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 111 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037100438000000000000000000000000000000000000000000000000000000000000000001C00080000000000C100040000000000001204000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-azidoacetonitrile IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-azidoacetonitrile IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-azidoacetonitrile IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-azidoethanenitrile IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-azidoacetonitrile InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C2H2N4/c3-1-2-5-6-4/h2H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 SOUAUNWBTJIQRT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 82.027946 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C2H2N4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 82.06408 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C#N)N=[N+]=[N-] SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(C#N)N=[N+]=[N-] Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 38.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 82.027946 6 0 0 0 0 0 0 0 1 1