Molecule

ID:71968

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClFN₃
Molecular Mass
201.6285632
Exact Mass
201.0469032
Charge
0
InChI
InChI=1S/C8H9ClFN3/c9-8-11-5-6(10)7(12-8)13-3-1-2-4-13/h5H,1-4H2
InChIKey
BDJGBPUMVHZREY-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(nc1N1CCCC1)Cl
Isomeric Smiles
c1nc(nc(c1F)N1CCCC1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2092762
LogD (pH = 7.4)
2.2092865
Log P
2.2092867
Molar Refractivity
50.7204
Polarizability
18.100079
Polar Surface Area
29.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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