9999 1 2 3 4 7 7 6 6 1 2 3 3 4 4 3 3 1 1 5 255 1 2 3 4 2 4.5981 2.866 3.732 -0.75 0.75 -0.25 0.25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 71.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037100430000000000000000000000000000000000000000000000000000000000000000000C000000000000000100000000000000001004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 oxalonitrile IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 oxalonitrile IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 oxalonitrile IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 ethanedinitrile IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 cyanogen InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C2N2/c3-1-2-4 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 JMANVNJQNLATNU-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 52.006148 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C2N2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 52.0348 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(#N)C#N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(#N)C#N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 47.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 52.006148 4 0 0 0 0 0 0 0 1 1