Molecule

ID:125734

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₅
Molecular Mass
258.2262
Exact Mass
258.05282342
Charge
0
InChI
InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
InChIKey
CEBXXEKPIIDJHL-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O
Isomeric Smiles
Cc1cc(cc2c1c1cc(cc(c1c(=O)o2)O)O)O
Calculated Properties
JChem
Acid pKa
7.63033
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
3.1748657
LogD (pH = 7.4)
2.9663825
Log P
3.178053
Molar Refractivity
67.923
Polarizability
26.691673
Polar Surface Area
86.99
Rotatable Bonds
0
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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