Molecule

ID:10751

General Information
Structure
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKey
SLWIPPZWFZGHEU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc(cc1)CC(=O)O
Isomeric Smiles
c1c(ccc(c1)CC(=O)O)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.7904832
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.457835
LogD (pH = 7.4)
-4.82807
Log P
1.2487423
Molar Refractivity
48.6732
Polarizability
18.77287
Polar Surface Area
74.6
Rotatable Bonds
4
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