21924744 1 2 3 20 1 1 1 2 2 1 3 1 1 5 255 1 2 3 2.5 0 2.5 2.5 1.25 0 4 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;hydron IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;hydron IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;hydron IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;hydron IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;hydron IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;hydron InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/Ca/q+2/p+2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BHPQYMZQTOCNFJ-UHFFFAOYSA-P Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 41.9782409 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 CaH2+4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 42.09 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [H+].[H+].[Ca+2] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [H+].[H+].[Ca+2] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 41.9782409 1 0 0 0 0 0 0 0 3 -1