Molecule

ID:8770

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClFN₂
Molecular Mass
160.5766432
Exact Mass
160.0203541
Charge
0
InChI
InChI=1S/C6H6ClFN2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
InChIKey
BSMPRJISGCTCDC-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(Cl)c(cc1N)F
Isomeric Smiles
c1(N)c(N)cc(Cl)c(F)c1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.0610093
LogD (pH = 7.4)
1.0621263
Log P
1.0621405
Molar Refractivity
40.48
Polarizability
14.253591
Polar Surface Area
52.04
Rotatable Bonds
0
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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