Molecule

ID:91620

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₃
Molecular Mass
188.17942
Exact Mass
188.04734412
Charge
0
InChI
InChI=1S/C11H8O3/c12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h1-7H,(H,12,13)
InChIKey
RQVVFGRDMHDHNI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)c1ccco1
Isomeric Smiles
o1cccc1c1cc(ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9465475
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.77743715
LogD (pH = 7.4)
-0.85062116
Log P
2.3383007
Molar Refractivity
50.8413
Polarizability
20.464365
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