Molecule

ID:12636

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₃
Molecular Mass
240.25398
Exact Mass
240.07864424
Charge
0
InChI
InChI=1S/C15H12O3/c16-15(17)9-12-10-5-1-3-7-13(10)18-14-8-4-2-6-11(12)14/h1-8,12H,9H2,(H,16,17)
InChIKey
WBWAHPQXFIMEOA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1c2ccccc2Oc2c1cccc2
Isomeric Smiles
C1(c2c(Oc3c1cccc3)cccc2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.9613838
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4568372
LogD (pH = 7.4)
-0.17737146
Log P
3.0034273
Molar Refractivity
66.793
Polarizability
25.952696
Polar Surface Area
46.53
Rotatable Bonds
2
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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