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Chem Calcium Citrate Malate | Cheminformatics

Calcium Citrate Malate


  • SKU Code: CH137187
Chemical Name - Calcium Citrate Malate
Mol Weight - 192.123
Smiles - [O-]C(CC(C([O-])=O)O)=O.OC(CC(O)=O)(CC(O)=O)C(O)=O.[Ca+2]
Property Name Property Value
Mol NameCalcium Citrate Malate
Molweight192.123
Monoisotopic Mass192.027005
Clogp-2.1297
Clogs0.071
H Acceptors7
H Donors4
Total Surface Area130.08
Relative Psa0.70357
Polar Surface Area132.13
Druglikeness3.5617
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.53846
Molecular Flexibility0.87486
Molecular Complexity0.57762
Fragments3
Non H Atoms13
Non Ch Atoms7
Electronegative Atoms7
Rotatable Bonds5
Sp3 Atoms7
Symmetric Atoms4
Acidic Oxygens3
Smiles[O-]C(CC(C([O-])=O)O)=O.OC(CC(O)=O)(CC(O)=O)C(O)=O.[Ca+2]
InChIKeyInChI=1S/C6H8O7.C4H6O5.Ca/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-2(4(8)9)1-3(6)7;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5H,1H2,(H,6,7)(H,8,9);/q;;+2/p-2
InChISNCXNNISMCUUOV-UHFFFAOYSA-L

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