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Sodium Calcium Edetate


  • SKU Code: CH137186
Chemical Name - Sodium Calcium Edetate
Mol Weight - 289.219
Smiles - [O-]C(CN(CCN(CC([O-])=O)CC(O)=O)CC([O-])=O)=O.[Na+].[Ca+2]
Property Name Property Value
Mol NameSodium Calcium Edetate
Molweight289.219
Monoisotopic Mass289.067193
Clogp-12.371
Clogs1.67
H Acceptors10
H Donors1
Total Surface Area216.6
Relative Psa0.53186
Polar Surface Area164.17
Druglikeness-13.534
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.5
Molecular Flexibility0.84548
Molecular Complexity0.56718
Fragments3
Non H Atoms20
Non Ch Atoms10
Electronegative Atoms10
Rotatable Bonds11
Sp3 Atoms12
Symmetric Atoms4
Amines2
Alkyl Amines2
Basic Nitrogens2
Acidic Oxygens4
Smiles[O-]C(CN(CCN(CC([O-])=O)CC(O)=O)CC([O-])=O)=O.[Na+].[Ca+2]
InChIKeyInChI=1S/C10H16N2O8.Ca.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;+2;+1/p-3
InChIUEAVLBXLOZNDHT-UHFFFAOYSA-K

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