1100 1 2 3 4 5 6 16 8 8 8 1 1 1 1 1 2 3 2 3 4 5 6 1 1 2 1 1 1 5 255 1 2 3 4 5 6 3.403 4.269 2.5369 3.403 4.8059 2 0.25 0.75 0.75 -0.75 0.44 0.44 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 26.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 2 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371000030004000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000800000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 sulfurous acid IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 sulfurous acid IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 sulfurous acid IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 sulfurous acid IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 sulfurous acid InChI Standard 1 1.0.4 InChI nist.gov 2012.02.08 InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3) InChIKey Standard 1 1.0.4 InChI nist.gov 2012.02.08 LSNNMFCWUKXFEE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 -0.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 81.972465 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 H2O3S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 82.07908 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 OS(=O)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 OS(=O)O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 76.7 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 81.972465 4 0 0 0 0 0 0 0 1 1