Molecule

ID:7447

General Information
Structure
Loading...
Molecular Formula
C₆H₅ClFN
Molecular Mass
145.5620032
Exact Mass
145.00945507
Charge
0
InChI
InChI=1S/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
InChIKey
XRAKCYJTJGTSMM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)N
Isomeric Smiles
c1(ccc(c(c1)Cl)N)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8908135
LogD (pH = 7.4)
1.8910633
Log P
1.8910664
Molar Refractivity
35.7796
Polarizability
13.073254
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...