Molecule

ID:37199

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-3-6-15-9-5-4-8(11(12)13)7-10(9)14-2/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKey
PYAZCFCEURLPSU-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1OC)C(=O)O
Isomeric Smiles
c1cc(cc(c1OCCC)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
4.138688
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.81794256
LogD (pH = 7.4)
-0.87940514
Log P
2.1948166
Molar Refractivity
55.5132
Polarizability
21.402094
Polar Surface Area
55.76
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
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Molecule Details
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References
Bioactivity
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