Molecule

ID:113506

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅KO₃
Molecular Mass
234.3333
Exact Mass
234.06582602
Charge
0
InChI
InChI=1S/C11H16O3.K/c1-9(2)10(3)4-5-11(9,8(13)14)6-7(10)12;/h4-6H2,1-3H3,(H,13,14);/q;+1/p-1
InChIKey
DXOBQEOAYYZRMR-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)C12CCC(C2(C)C)(C(=O)C1)C.[K+]
Isomeric Smiles
C12(C(C(C(=O)C1)(CC2)C)(C)C)C(=O)[O-].[K+]
Calculated Properties
JChem
Acid pKa
4.4297657
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9405401
LogD (pH = 7.4)
-0.8201539
Log P
2.0447254
Molar Refractivity
61.5214
Polarizability
20.03689
Polar Surface Area
57.2
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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