Molecule

ID:91619

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₃
Molecular Mass
188.17942
Exact Mass
188.04734412
Charge
0
InChI
InChI=1S/C11H8O3/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h1-7H,(H,12,13)
InChIKey
QRUHYAWZHFTNEA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1c1ccco1
Isomeric Smiles
o1c(ccc1)c1c(cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3279548
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.18200624
LogD (pH = 7.4)
-1.0817276
Log P
2.3383007
Molar Refractivity
50.8413
Polarizability
20.470053
Polar Surface Area
50.44
Rotatable Bonds
2
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
暂无数据
点击上传数据
References
Bioactivity
Navigation