Molecule

ID:99847

General Information
Structure
MolImage
Molecular Formula
C₈H₅FO₄
Molecular Mass
184.1213032
Exact Mass
184.01718686
Charge
0
InChI
InChI=1S/C8H5FO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
OMCXTFVBNCFZMY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)O)C(=O)O
Isomeric Smiles
O=C(c1c(cc(cc1)F)C(=O)O)O
Calculated Properties
JChem
Acid pKa
2.7614226
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5692723
LogD (pH = 7.4)
-4.0099196
Log P
1.4311136
Molar Refractivity
40.7868
Polarizability
14.919948
Polar Surface Area
74.6
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