Molecule

ID:21487

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c15-14(16)10-17-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChIKey
MAKUMOXHJKKTDP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COc1ccccc1c1ccccc1
Isomeric Smiles
c1(c(OCC(=O)O)cccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.142572
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5676043
LogD (pH = 7.4)
-0.13091354
Log P
2.9407833
Molar Refractivity
63.742
Polarizability
26.157322
Polar Surface Area
46.53
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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