Molecule

ID:10427

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClFN₂
Molecular Mass
160.5766432
Exact Mass
160.0203541
Charge
0
InChI
InChI=1S/C6H6ClFN2/c7-5-3-4(10-9)1-2-6(5)8/h1-3,10H,9H2
InChIKey
DUORBNTWCCJANU-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(c(c1)Cl)F
Isomeric Smiles
c1c(c(cc(c1)NN)Cl)F
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9481351
LogD (pH = 7.4)
2.109142
Log P
2.111635
Molar Refractivity
40.7859
Polarizability
14.522857
Polar Surface Area
38.05
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
References
Bioactivity
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