Molecule

ID:67208

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClN₄
Molecular Mass
168.5837
Exact Mass
168.02027386
Charge
0
InChI
InChI=1S/C6H5ClN4/c1-4-2-5(7)11-6(10-4)8-3-9-11/h2-3H,1H3
InChIKey
NOIPEBKPGPZXNR-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)n2c(n1)ncn2
Isomeric Smiles
c12nc(cc(n1ncn2)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6629773
LogD (pH = 7.4)
0.6629781
Log P
0.6629781
Molar Refractivity
53.0023
Polarizability
15.286296
Polar Surface Area
43.08
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
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Molecule Details
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References
Bioactivity
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