Molecule

ID:107691

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₅
Molecular Mass
258.2262
Exact Mass
258.05282342
Charge
0
InChI
InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3
InChIKey
TZVNNUHRZXQCHM-UHFFFAOYSA-N
Canonic Smiles
Oc1cc2c(cc1O)oc1c(c2C)cc(c(=O)c1)O
Isomeric Smiles
Cc1c2cc(O)c(=O)cc2oc2c1cc(O)c(O)c2
Calculated Properties
JChem
Acid pKa
6.607448
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
1.6684016
LogD (pH = 7.4)
1.4884452
Log P
1.6712196
Molar Refractivity
70.834
Polarizability
25.564995
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation