Molecule

ID:12366

General Information
Structure
Molecular Formula
C₇H₃ClFN
Molecular Mass
155.5568232
Exact Mass
154.993805
Charge
0
InChI
InChI=1S/C7H3ClFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChIKey
GWZQVECNESCSKR-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1)F)Cl
Isomeric Smiles
c1c(c(cc(c1)C#N)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5760887
LogD (pH = 7.4)
2.5760887
Log P
2.5760887
Molar Refractivity
36.8008
Polarizability
13.787448
Polar Surface Area
23.79
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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