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Casrn : 125-67-7

MolName : Gibberellic acid, monopotassium salt

MolecularFormula : K.C19H21O6

Smiles : C[C@]([C@@H]([C@@H]([C@](C1)(CC2=C)[C@H]3CC[C@]12O)C([O-])=O)[C@]3(C=C1)O2)([C@H]1O)C2=O.[K+]

InChI : InChI=1S/C19H22O6.K/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22;/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22);/q;+1/p-1/t10-,11+,12+,13+,16-,17+,18+,19-;/m1./s1

InChIK : BGJIAUDTIACQSC-AWPRNIBNSA-M

CanonicalSyTyLFy : 9d213011b3b27439

TotalMolweight : 384.468

Molweight : 345.37

MonoisotopicMass : 345.133815

CLogP : -1.9836

CLogS : -2.659

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 219.92

Relative PSA : 0.34813

PolarSurfaceArea : 106.89

Druglikeness : -0.97812

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.36

Molecula Flexibility : 0.15811

Molecular Complexity : 1.0766

Fragments : 2

Non HAtoms : 25

NonCHAtoms : 6

Electronegative Atoms : 6

StereoCenters : 8

Rotatable Bond : 1

Rings Closures : 5

Small Rings : 7

Sp3Atoms : 17

AcidicOxygens : 1

StereoCon : this enantiomer