5987 1 2 3 4 5 6 7 8 16 8 8 8 7 1 1 1 1 1 1 1 2 5 5 2 3 4 5 8 6 7 1 2 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 3.403 2.5369 2.903 3.903 4.269 4.8059 4.269 2 -0.127 -0.627 0.739 -0.993 0.373 0.063 0.993 -0.317 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 92.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 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 00000371000230004000000000000000000000000000000000000000000000000000000000000000001048000000000000000000000000800000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 sulfamic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 sulfamic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 sulfamic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 sulfamic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 sulfamic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 IIACRCGMVDHOTQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 96.983364 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 H3NO3S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 97.09372 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 NS(=O)(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 NS(=O)(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 88.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 96.983364 5 0 0 0 0 0 0 0 1 1