24638 1 2 3 4 5 6 17 16 8 8 8 1 1 2 2 2 3 2 3 4 5 6 1 1 2 2 1 1 5 255 1 2 3 4 5 6 2 2.866 3.732 2.366 3.366 4.269 -0.5 0 0.5 0.866 -0.866 0.19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 92.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 1 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 00000371000030004400000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000800000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 sulfurochloridic acid IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 sulfurochloridic acid IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 sulfurochloridic acid IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 sulfurochloridic acid IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 sulfurochloridic acid InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/ClHO3S/c1-5(2,3)4/h(H,2,3,4) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 XTHPWXDJESJLNJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 -0.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 115.933493 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 ClHO3S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 116.52414 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 OS(=O)(=O)Cl SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 OS(=O)(=O)Cl Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 62.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 115.933493 5 0 0 0 0 0 0 0 1 1