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Casrn : 68081-74-3

MolName : Magnesate(3-), [N,N-bis[2-[[(carboxy-.kappa.O)methyl](carboxymethyl)amino-.kappa.N]ethyl]glycinato(5-)-.kappa.N,.kappa.O]-, trisodium

MolecularFormula : Mg.Na.Na.Na.C14H18N3O10

Smiles : [O-]C(CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O)=O.[Na+].[Na+].[Na+].[Mg+2]

InChI : InChI=1S/C14H23N3O10.Mg.3Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;/q;+2;3*+1/p-5

InChIK : KHLLTQULCYNAJG-UHFFFAOYSA-I

CanonicalSyTyLFy : 60a2559154ae4aaf

TotalMolweight : 481.583

Molweight : 388.308

MonoisotopicMass : 388.099222

CLogP : -18.807

CLogS : 2.472

H Acceptors : 13

TotalSurfaceArea : 294.64

Relative PSA : 0.49976

PolarSurfaceArea : 210.37

Druglikeness : -7.765

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.48148

Molecula Flexibility : 0.85929

Molecular Complexity : 0.63297

Fragments : 5

Non HAtoms : 27

NonCHAtoms : 13

Electronegative Atoms : 13

Rotatable Bond : 16

Sp3Atoms : 17

Symmetricatoms : 15

Amines : 3

AlkylAmines : 3

BasicNitrogens : 3

AcidicOxygens : 5

StereoCon :