Molecule

ID:114796

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₄
Molecular Mass
196.63686
Exact Mass
196.05157399
Charge
0
InChI
InChI=1S/C8H9ClN4/c1-5(2)13-4-12-6-7(9)10-3-11-8(6)13/h3-5H,1-2H3
InChIKey
RZIIMNOJHLWYNA-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc2c1ncn2C(C)C
Isomeric Smiles
n1(c2c(nc1)c(ncn2)Cl)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5245383
LogD (pH = 7.4)
1.5247341
Log P
1.5247366
Molar Refractivity
51.5156
Polarizability
19.630787
Polar Surface Area
43.6
Rotatable Bonds
1
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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