Molecule

ID:113431

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-9(2)10(3)4-5-11(9,8(14)15)7(13)6(10)12/h4-5H2,1-3H3,(H,14,15)
InChIKey
MFGSQXUNSUJWPZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C12CCC(C2(C)C)(C(=O)C1=O)C
Isomeric Smiles
C12(C(C(C(=O)C1=O)(CC2)C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.0116425
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.9030034
LogD (pH = 7.4)
-0.7510434
Log P
2.4013107
Molar Refractivity
51.4811
Polarizability
20.281033
Polar Surface Area
71.44
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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