Molecule

ID:66032

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClN₄
Molecular Mass
168.5837
Exact Mass
168.02027386
Charge
0
InChI
InChI=1S/C6H5ClN4/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2-3H,1H3
InChIKey
NCZREVPKGQGLFM-UHFFFAOYSA-N
Canonic Smiles
Cn1cnc2c1c(Cl)ncn2
Isomeric Smiles
n1c2c(n(c1)C)c(ncn2)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.7085109
LogD (pH = 7.4)
0.7088913
Log P
0.7088961
Molar Refractivity
43.9684
Polarizability
15.963419
Polar Surface Area
43.6
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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