Molecule

ID:13114

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₄
Molecular Mass
246.25856
Exact Mass
246.08920893
Charge
0
InChI
InChI=1S/C14H14O4/c1-17-11-4-2-10(3-5-11)13-8-6-12(18-13)7-9-14(15)16/h2-6,8H,7,9H2,1H3,(H,15,16)
InChIKey
ZKWNOAWLDSIWEE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(o1)CCC(=O)O
Isomeric Smiles
c1cc(oc1c1ccc(cc1)OC)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.591247
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.411216
LogD (pH = 7.4)
-0.364338
Log P
2.3694572
Molar Refractivity
65.9884
Polarizability
26.688833
Polar Surface Area
59.67
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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