Molecule

ID:78962

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClN₄
Molecular Mass
168.5837
Exact Mass
168.02027386
Charge
0
InChI
InChI=1S/C6H5ClN4/c1-11(4-8)6-3-2-5(7)9-10-6/h2-3H,1H3
InChIKey
YZRFJLSZSWSQDN-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(nn1)Cl)C#N
Isomeric Smiles
n1nc(ccc1N(C#N)C)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2830431
LogD (pH = 7.4)
1.2830431
Log P
1.2830431
Molar Refractivity
45.3315
Polarizability
15.240346
Polar Surface Area
52.81
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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