Molecule

ID:119167

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₄
Molecular Mass
204.17882
Exact Mass
204.04225874
Charge
0
InChI
InChI=1S/C11H8O4/c12-9-3-1-2-6-4-8(11(14)15)10(13)5-7(6)9/h1-5,12-13H,(H,14,15)
InChIKey
YELLAPKUWRTITI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2cccc(c2cc1O)O
Isomeric Smiles
c1(c(cc2c(c1)cccc2O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.6870737
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.07415069
LogD (pH = 7.4)
-0.84141165
Log P
2.6631749
Molar Refractivity
53.7262
Polarizability
21.367033
Polar Surface Area
77.76
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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