Molecule
ID:69245
General Information
Molecular Formula
C₇H₂ClF₂N
Molecular Mass
173.5472864
Exact Mass
172.98438319
Charge
0
InChI
InChI=1S/C7H2ClF2N/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2H
InChIKey
FLWUCEPAGLEAML-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(F)c(c(c1)F)Cl
Isomeric Smiles
C(#N)c1cc(c(c(c1)F)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7187905
LogD (pH = 7.4)
2.7187905
Log P
2.7187905
Molar Refractivity
37.0172
Polarizability
13.645334
Polar Surface Area
23.79
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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