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Casrn : 68188-96-5

MolName : Phosphonic acid, P,P',P'',P'''-[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, potassium salt (1:4)

MolecularFormula : K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.C6H16N2O12P4

Smiles : [O-]P(CN(CCN(CP([O-])(O)=O)CP([O-])(O)=O)CP([O-])(O)=O)(O)=O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]

InChI : InChI=1S/C6H20N2O12P4.16K/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;;;;;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;;;;;;;;;;/q;16*+1/p-4

InChIK : ZMAZWQRZXRYURG-UHFFFAOYSA-J

CanonicalSyTyLFy : 6b9283ea0cfc6332

TotalMolweight : 1057.66

Molweight : 432.091

MonoisotopicMass : 431.965376

CLogP : -22.115

CLogS : 1.918

H Acceptors : 14

H Donors : 4

TotalSurfaceArea : 267.26

Relative PSA : 0.69109

PolarSurfaceArea : 287.16

Druglikeness : -11.43

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.41667

Molecula Flexibility : 0.84099

Molecular Complexity : 0.68153

Fragments : 17

Non HAtoms : 24

NonCHAtoms : 18

Electronegative Atoms : 18

StereoCenters : 4

Rotatable Bond : 11

Sp3Atoms : 20

Symmetricatoms : 17

BasicNitrogens : 2

AcidicOxygens : 8

StereoCon : unknown chirality