24530 1 2 3 4 7 7 7 1 1 1 3 -1 1 1 2 2 3 4 2 2 1 1 5 255 1 2 3 4 2.866 3.732 2 4.269 0 0.5 -0.5 0.19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 23 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 00000371000300000000000000000000000000000000000000000000000000000000000000000000001800000000000000000000000200000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/HN3/c1-3-2/h1H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 JUINSXZKUKVTMD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 43.017047 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 HN3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 43.02804 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 N=[N+]=[N-] SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 N=[N+]=[N-] Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 25.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 43.017047 3 0 0 0 0 0 0 0 1 1