Molecule

ID:104136

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₃
Molecular Mass
226.2274
Exact Mass
226.06299418
Charge
0
InChI
InChI=1S/C14H10O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10H
InChIKey
CHIHQLCVLOXUJW-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)OC(=O)c1ccccc1
Isomeric Smiles
O=C(OC(=O)c1ccccc1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.80
LogD (pH = 5.5)
3.80
Log P
3.80
Rotatable Bonds
4
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-6.82
Polar Surface Area
43.37
Polarizability
23.13
Molar Refractivity
63.42
LOG S
-4.09
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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