Molecule

ID:75510

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₃
Molecular Mass
176.16872
Exact Mass
176.04734412
Charge
0
InChI
InChI=1S/C10H8O3/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5,11H,1H3
InChIKey
IRUHWRSITUYICV-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)c(C)cc(=O)o2
Isomeric Smiles
o1c(=O)cc(c2c1ccc(c2)O)C
Calculated Properties
JChem
Acid pKa
9.385126
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7791326
LogD (pH = 7.4)
1.7747443
Log P
1.7791889
Molar Refractivity
47.8115
Polarizability
18.149403
Polar Surface Area
46.53
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