Molecule

ID:16835

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c1-11(15(16)17)18-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-11H,1H3,(H,16,17)
InChIKey
LHACJRMZSJGCFY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccccc1c1ccccc1)C
Isomeric Smiles
c1(c(OC(C(=O)O)C)cccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.1544113
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1476254
LogD (pH = 7.4)
0.44559613
Log P
3.5095475
Molar Refractivity
68.2359
Polarizability
28.002848
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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