Molecule

ID:68319

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClN₂
Molecular Mass
188.6131
Exact Mass
188.01412585
Charge
0
InChI
InChI=1S/C10H5ClN2/c11-10-9-4-2-1-3-8(9)7(5-12)6-13-10/h1-4,6H
InChIKey
FMQOMPVZLLUVOD-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnc(c2c1cccc2)Cl
Isomeric Smiles
c1(ncc(c2ccccc12)C#N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.425368
LogD (pH = 7.4)
2.425368
Log P
2.425368
Molar Refractivity
51.939
Polarizability
20.712914
Polar Surface Area
36.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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