Molecule

ID:130656

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₃
Molecular Mass
240.25398
Exact Mass
240.07864424
Charge
0
InChI
InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2
InChIKey
ZLHVIYHWWQYJID-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)C1CC(=O)c2c(O1)cccc2
Isomeric Smiles
c1ccc2c(c1)C(=O)CC(O2)c1ccc(cc1)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.79
LogD (pH = 5.5)
2.79
Log P
2.79
Rotatable Bonds
1
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.47
Polar Surface Area
46.53
Polarizability
25.38
Molar Refractivity
67.33
LOG S
-3.50
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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