Molecule

ID:58323

General Information
Structure
MolImage
Molecular Formula
C₇H₄FNO₂
Molecular Mass
153.1105632
Exact Mass
153.02260659
Charge
0
InChI
InChI=1S/C7H4FNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKey
XFHJMCQRLBZIDO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)oc(=O)[nH]2
Isomeric Smiles
c1c(ccc2c1oc(=O)[nH]2)F
Calculated Properties
JChem
Acid pKa
9.570638
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4742935
LogD (pH = 7.4)
1.4715526
Log P
1.4743285
Molar Refractivity
36.4806
Polarizability
13.107533
Polar Surface Area
38.33
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