Molecule

ID:52654

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClFN₂
Molecular Mass
182.5821632
Exact Mass
182.00470404
Charge
0
InChI
InChI=1S/C8H4ClFN2/c9-8-6-3-5(10)1-2-7(6)11-4-12-8/h1-4H
InChIKey
XIKGISGZFBCGDW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(Cl)ncn2
Isomeric Smiles
c1(ccc2c(c1)c(ncn2)Cl)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3919847
LogD (pH = 7.4)
2.3919864
Log P
2.3919864
Molar Refractivity
44.883
Polarizability
17.661224
Polar Surface Area
25.78
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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