Molecule

ID:65627

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClFN₂
Molecular Mass
156.5448832
Exact Mass
155.98905397
Charge
0
InChI
InChI=1S/C6H2ClFN2/c7-6-4(2-9)1-5(8)3-10-6/h1,3H
InChIKey
SUBZTZVHVGYOPM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(F)cnc1Cl
Isomeric Smiles
c1(cnc(c(c1)C#N)Cl)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5785934
LogD (pH = 7.4)
1.5785934
Log P
1.5785934
Molar Refractivity
35.7052
Polarizability
13.01889
Polar Surface Area
36.68
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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