Molecule

ID:37868

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₄
Molecular Mass
270.27996
Exact Mass
270.08920893
Charge
0
InChI
InChI=1S/C16H14O4/c17-16(18)9-13(11-4-2-1-3-5-11)12-6-7-14-15(8-12)20-10-19-14/h1-8,13H,9-10H2,(H,17,18)
InChIKey
CNLLGXYTUMEWOA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1ccc2c(c1)OCO2)c1ccccc1
Isomeric Smiles
c1cccc(c1)C(c1ccc2c(c1)OCO2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.9979503
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5881696
LogD (pH = 7.4)
-0.06062515
Log P
3.0996194
Molar Refractivity
72.3771
Polarizability
28.421585
Polar Surface Area
55.76
Rotatable Bonds
4
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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