Molecule

ID:11669

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆O₃
Molecular Mass
196.24294
Exact Mass
196.10994437
Charge
0
InChI
InChI=1S/C11H16O3/c1-9(2)10(3)4-5-11(9,8(13)14)6-7(10)12/h4-6H2,1-3H3,(H,13,14)
InChIKey
RKFCLVFAFZYVCG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C12CCC(C2(C)C)(C(=O)C1)C
Isomeric Smiles
C12(C(C(C(=O)C1)(CC2)C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.4297657
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9405401
LogD (pH = 7.4)
-0.8201539
Log P
2.0447254
Molar Refractivity
50.6843
Polarizability
20.150175
Polar Surface Area
54.37
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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