Molecule

ID:7152

General Information
Structure
Molecular Formula
C₇H₄ClFO
Molecular Mass
158.5574632
Exact Mass
157.99347065
Charge
0
InChI
InChI=1S/C7H4ClFO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
InChIKey
YAOZCMANASAVFN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1F)Cl
Isomeric Smiles
c1cc(c(c(c1)C=O)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4324949
LogD (pH = 7.4)
2.4324949
Log P
2.4324949
Molar Refractivity
37.6632
Polarizability
13.877796
Polar Surface Area
17.07
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