Molecule
ID:52663
General Information
Molecular Formula
C₈H₄ClFN₂
Molecular Mass
182.5821632
Exact Mass
182.00470404
Charge
0
InChI
InChI=1S/C8H4ClFN2/c9-8-11-4-5-1-2-6(10)3-7(5)12-8/h1-4H
InChIKey
FRAVNDLHGCORAY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)nc(nc2)Cl
Isomeric Smiles
c1c(cc2c(c1)cnc(n2)Cl)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4763145
LogD (pH = 7.4)
2.4763148
Log P
2.4763148
Molar Refractivity
44.5155
Polarizability
17.714258
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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