21924744 1 2 3 20 1 1 1 2 2 1 3 1 1 5 255 1 2 3 0 2.5 2.5 1.25 0 2.5 4 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 0 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 0 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;hydron IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;hydron IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;hydron IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;hydron IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;hydron InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/Ca/q+2/p+2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 BHPQYMZQTOCNFJ-UHFFFAOYSA-P Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 41.978241 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 CaH2+4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 42.09388 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [H+].[H+].[Ca+2] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [H+].[H+].[Ca+2] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 41.978241 1 0 0 0 0 0 0 0 3 1