768 1 2 3 7 6 1 1 2 2 3 3 1 1 5 255 1 2 3 3.403 2.5369 2 0.405 -0.095 -0.405 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 10 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 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 00000371000200000000000000000000000000000000000000000000000000000000000000000014000000000000000000040000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 formonitrile IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 formonitrile IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 formonitrile IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 methanenitrile IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 hydrogen cyanide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/CHN/c1-2/h1H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 LELOWRISYMNNSU-UHFFFAOYSA-N Log P XLogP3-AA 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 27.010899 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 CHN Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 27.02534 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C#N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C#N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 23.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 27.010899 2 0 0 0 0 0 0 0 1 2