Molecule

ID:31722

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-14-9-5-2-3-6-10(9)15-8-4-7-11(12)13/h2-3,5-6H,4,7-8H2,1H3,(H,12,13)
InChIKey
RYZVEPJENJDKSS-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OCCCC(=O)O
Isomeric Smiles
C(=O)(O)CCCOc1c(OC)cccc1
Calculated Properties
JChem
Acid pKa
4.0871305
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.23553011
LogD (pH = 7.4)
-1.4454238
Log P
1.6615605
Molar Refractivity
54.5234
Polarizability
21.430899
Polar Surface Area
55.76
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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