Molecule

ID:75917

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂
Molecular Mass
142.58618
Exact Mass
142.02977591
Charge
0
InChI
InChI=1S/C6H7ClN2/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3
InChIKey
BTGGHNHGPURMEO-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(n1)C)Cl
Isomeric Smiles
n1c(c(nc(c1)C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6248363
LogD (pH = 7.4)
0.6248628
Log P
0.62486315
Molar Refractivity
36.7933
Polarizability
14.028086
Polar Surface Area
25.78
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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