Molecule

ID:99142

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClFO₂
Molecular Mass
174.5568632
Exact Mass
173.98838527
Charge
0
InChI
InChI=1S/C7H4ClFO2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey
CDDFZGUCZWWMGL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)c(c(c1)Cl)O
Isomeric Smiles
O=Cc1cc(c(c(c1)F)O)Cl
Calculated Properties
JChem
Acid pKa
4.923349
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4657425
LogD (pH = 7.4)
0.2419653
Log P
2.1289294
Molar Refractivity
39.6441
Polarizability
14.562545
Polar Surface Area
37.3
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