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Casrn : 68400-03-3

MolName : Phosphonic acid, P,P',P'',P'''-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, potassium salt (1:5)

MolecularFormula : K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.K.C9H23N3O15P5

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

InChI : InChI=1S/C9H28N3O15P5.24K/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;;;;;;;;;;;;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;;;;;;;;;;;;;;;;;;;/q;24*+1/p-5

InChIK : PSUNCMUZHXTFFQ-UHFFFAOYSA-I

CanonicalSyTyLFy : 895c3d002cd4931f

TotalMolweight : 1506.51

Molweight : 568.158

MonoisotopicMass : 567.981732

CLogP : -28.391

CLogS : 2.782

H Acceptors : 18

H Donors : 5

TotalSurfaceArea : 356.49

Relative PSA : 0.65261

PolarSurfaceArea : 360.57

Druglikeness : -11.016

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.40625

Molecula Flexibility : 0.85132

Molecular Complexity : 0.73536

Fragments : 25

Non HAtoms : 32

NonCHAtoms : 23

Electronegative Atoms : 23

StereoCenters : 5

Rotatable Bond : 16

Sp3Atoms : 27

Symmetricatoms : 18

BasicNitrogens : 3

AcidicOxygens : 10

StereoCon : unknown chirality