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Casrn : 63074-47-5

MolName : Potassium (~2~H_31_)hexadecanoate

MolecularFormula : K.C16O2D31

Smiles : [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([O-])=O.[K+]

InChI : InChI=1S/C16H32O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2;

InChIK : MQOCIYICOGDBSG-HXKBIXQXSA-M

CanonicalSyTyLFy : 6af27750fdee948a

TotalMolweight : 325.709

Molweight : 286.611

MonoisotopicMass : 286.42383

CLogP : 3.9865

CLogS : -4.239

H Acceptors : 2

TotalSurfaceArea : 243.68

Relative PSA : 0.11211

PolarSurfaceArea : 40.13

Druglikeness : 0.0022581

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : unwanted atom

Shape Index : 0.36735

Molecula Flexibility : 0.50312

Molecular Complexity : 0.98539

Fragments : 2

Non HAtoms : 49

NonCHAtoms : 33

Electronegative Atoms : 2

Rotatable Bond : 15

Sp3Atoms : 16

Symmetricatoms : 16

AcidicOxygens : 1

StereoCon :