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Casrn : 81924-67-6

MolName : Potassium 1-[(propan-2-yl)amino]-3-[4-(sulfooxy)phenoxy]propan-2-olate

MolecularFormula : K.C12H18NO6S

Smiles : CC(C)NC[C@@H](COc(cc1)ccc1OS(O)(=O)=O)[O-].[K+]

InChI : InChI=1S/C12H18NO6S.K/c1-9(2)13-7-10(14)8-18-11-3-5-12(6-4-11)19-20(15,16)17;/h3-6,9-10,13H,7-8H2,1-2H3,(H,15,16,17);/q-1;+1/t10-;/m0./s1

InChIK : SRRWTDSBHLKPKJ-PPHPATTJSA-N

CanonicalSyTyLFy : 8543c9e9f679e4bb

TotalMolweight : 343.44

Molweight : 304.342

MonoisotopicMass : 304.085484

CLogP : -4.2077

CLogS : -0.996

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 224.22

Relative PSA : 0.38988

PolarSurfaceArea : 116.3

Druglikeness : 3.3287

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.7

Molecula Flexibility : 0.64587

Molecular Complexity : 0.59634

Fragments : 2

Non HAtoms : 20

NonCHAtoms : 8

Electronegative Atoms : 8

StereoCenters : 1

Rotatable Bond : 8

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 12

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon : this enantiomer