59779509 1 2 3 4 5 6 7 8 9 10 20 20 20 20 20 20 20 20 20 20 9 2 10 2 1 1 2 3 4 5 6 7 8 2 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 5.4641 6.3301 4.5981 7.1962 3.732 8.0622 2.866 8.9282 2 9.7942 -0.25 0.25 0.25 -0.25 -0.25 0.25 0.25 -0.25 -0.25 0.25 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 40 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/10Ca InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FCAJVZTXFQOOQS-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 399.625908 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 Ca10 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 400.8 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [Ca][Ca][Ca][Ca][Ca][Ca][Ca][Ca][Ca][Ca] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [Ca][Ca][Ca][Ca][Ca][Ca][Ca][Ca][Ca][Ca] 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 2021.05.07 399.625908 10 0 0 0 0 0 0 0 1 -1