60016080 1 2 3 4 5 84 84 84 84 20 1 3 2 3 3 3 4 3 5 3 1 1 2 2 3 5 4 5 6 6 6 6 1 5 255 1 2 3 4 5 4.5981 2.866 5.4641 2 3.732 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 3.6 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 0 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/Ca.4Po InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WVNHLSSNYPIJPW-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 875.89231 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 CaPo4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 876.01 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [Ca].[Po].[Po].[Po].[Po] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [Ca].[Po].[Po].[Po].[Po] 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 2021.05.07 875.89231 5 0 0 0 0 0 0 0 5 -1