Molecule

ID:98225

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClFN₂
Molecular Mass
160.5766432
Exact Mass
160.0203541
Charge
0
InChI
InChI=1S/C6H6ClFN2/c7-3-1-6(10)4(8)2-5(3)9/h1-2H,9-10H2
InChIKey
OPHFGTGSFJISHQ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(Cl)c(cc1F)N
Isomeric Smiles
Clc1cc(c(cc1N)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.0572904
LogD (pH = 7.4)
1.0620791
Log P
1.0621405
Molar Refractivity
40.48
Polarizability
14.238152
Polar Surface Area
52.04
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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