Molecule

ID:50583

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClFNO
Molecular Mass
173.5721032
Exact Mass
173.00436969
Charge
0
InChI
InChI=1S/C7H5ClFNO/c1-4(11)6-2-5(9)3-10-7(6)8/h2-3H,1H3
InChIKey
AQQNBZAKKNJYLI-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)C(=O)C)Cl
Isomeric Smiles
c1(cnc(c(c1)C(=O)C)Cl)F
Calculated Properties
JChem
Acid pKa
14.857263
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2801447
LogD (pH = 7.4)
1.2801447
Log P
1.2801447
Molar Refractivity
40.3864
Polarizability
14.915775
Polar Surface Area
29.96
Rotatable Bonds
1
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