6347 1 2 3 4 8 7 6 1 1 2 2 3 3 4 2 2 1 1 5 255 1 2 3 4 4.269 2.5369 3.403 2 0.5 -0.5 0 -0.19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 27.8 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 1 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 00000371000220000000000000000000000000000000000000000000000000000000000000000006001000000000000000000000004000002800000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 isocyanic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 isocyanic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 isocyanic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 isocyanic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 isocyanic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/CHNO/c2-1-3/h2H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 OWIKHYCFFJSOEH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 43.005814 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 CHNO Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 43.02474 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(=N)=O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(=N)=O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 40.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 43.005814 3 0 0 0 0 0 0 0 1 2