Molecule

ID:70049

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClFN₂
Molecular Mass
160.5766432
Exact Mass
160.0203541
Charge
0
InChI
InChI=1S/C6H6ClFN2/c1-2-4-5(8)6(7)10-3-9-4/h3H,2H2,1H3
InChIKey
LKTGVRWVTAJGMS-UHFFFAOYSA-N
Canonic Smiles
CCc1ncnc(c1F)Cl
Isomeric Smiles
c1nc(c(c(n1)CC)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8485527
LogD (pH = 7.4)
1.8485651
Log P
1.8485652
Molar Refractivity
38.0232
Polarizability
13.903114
Polar Surface Area
25.78
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