Molecule

ID:30116

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₃
Molecular Mass
194.22706
Exact Mass
194.09429431
Charge
0
InChI
InChI=1S/C11H14O3/c1-14-10-7-3-2-5-9(10)6-4-8-11(12)13/h2-3,5,7H,4,6,8H2,1H3,(H,12,13)
InChIKey
DEOJMVLFGSPFIZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CCCC(=O)O
Isomeric Smiles
C(=O)(O)CCCc1c(OC)cccc1
Calculated Properties
JChem
Acid pKa
4.4108143
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2208468
LogD (pH = 7.4)
-0.5371818
Log P
2.3424602
Molar Refractivity
53.0308
Polarizability
20.725094
Polar Surface Area
46.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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