Molecule

ID:26121

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₃
Molecular Mass
226.2274
Exact Mass
226.06299418
Charge
0
InChI
InChI=1S/C14H10O3/c15-10-11-6-8-13(9-7-11)17-14(16)12-4-2-1-3-5-12/h1-10H
InChIKey
KYZWJGYDXCOKRS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OC(=O)c1ccccc1
Isomeric Smiles
C(=O)(Oc1ccc(C=O)cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3471835
LogD (pH = 7.4)
3.3471835
Log P
3.3471835
Molar Refractivity
64.4449
Polarizability
24.368881
Polar Surface Area
43.37
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
No Data Available
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Molecule Details
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References
Bioactivity
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