271 1 20 1 2 1 5 255 1 2 0 2 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 0 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 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 00000371000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 calcium(2+) IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 calcium(2+) IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 calcium(2+) IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 calcium(2+) IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 calcium(2+) InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/Ca/q+2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 BHPQYMZQTOCNFJ-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 39.962591 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 Ca+2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 40.078 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 [Ca+2] SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 [Ca+2] Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 39.962591 1 0 0 0 0 0 0 0 1 1