Molecule

ID:59639

General Information
Structure
Molecular Formula
C₁₅H₁₀O₄
Molecular Mass
254.2375
Exact Mass
254.0579088
Charge
0
InChI
InChI=1S/C15H10O4/c16-10-6-12(17)15-11(9-4-2-1-3-5-9)8-14(18)19-13(15)7-10/h1-8,16-17H
InChIKey
HUQKUJNSVHEHIH-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(O)c2c(c1)oc(=O)cc2c1ccccc1
Isomeric Smiles
c1(c2c(oc(=O)c1)cc(cc2O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
7.3307333
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.6031017
LogD (pH = 7.4)
2.2642684
Log P
2.6094275
Molar Refractivity
79.0631
Polarizability
26.495138
Polar Surface Area
66.76
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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