6337034 1 20 1 41 1 3 1 5 255 1 2 0 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 calcium-41 IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 calcium-41 IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 calcium-41 IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 calcium-41 IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 calcium-41 IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 calcium-41 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/Ca/i1+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OYPRJOBELJOOCE-OUBTZVSYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 40.962278 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 Ca Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 40.962278 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [Ca] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [41Ca] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 40.962278 1 0 0 0 0 0 0 1 1 -1