Molecule

ID:80358

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆O₃
Molecular Mass
174.15284
Exact Mass
174.03169405
Charge
0
InChI
InChI=1S/C10H6O3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13-10/h1-4,9-10H/t9-,10+
InChIKey
TVVRFUOKLKGUKT-AOOOYVTPSA-N
Canonic Smiles
O=C1[C@@H]2O[C@@H]2C(=O)c2c1cccc2
Isomeric Smiles
O1[C@@H]2[C@H]1C(=O)c1ccccc1C2=O
Calculated Properties
JChem
Acid pKa
12.444421
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8681359
LogD (pH = 7.4)
0.86813205
Log P
0.868136
Molar Refractivity
44.2795
Polarizability
17.060495
Polar Surface Area
46.67
Rotatable Bonds
0
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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