Molecule

ID:10089

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂
Molecular Mass
142.58618
Exact Mass
142.02977591
Charge
0
InChI
InChI=1S/C6H7ClN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3
InChIKey
RZVPFDOTMFYQHR-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)nc(n1)Cl
Isomeric Smiles
c1c(nc(nc1C)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2210203
LogD (pH = 7.4)
1.2210261
Log P
1.2210262
Molar Refractivity
37.4039
Polarizability
14.082661
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
References
Bioactivity
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