Molecule

ID:24810

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-14-9-4-6-10(7-5-9)15-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
InChIKey
WUHMCXAVTAKIAE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OCCCC(=O)O
Isomeric Smiles
C(=O)(O)CCCOc1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.864238
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.021378519
LogD (pH = 7.4)
-1.5701393
Log P
1.6615605
Molar Refractivity
54.5234
Polarizability
21.42854
Polar Surface Area
55.76
Rotatable Bonds
6
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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