Molecule

ID:13576

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂N₄
Molecular Mass
203.02876
Exact Mass
201.98130151
Charge
0
InChI
InChI=1S/C6H4Cl2N4/c1-12-2-9-5-3(12)4(7)10-6(8)11-5/h2H,1H3
InChIKey
HVMUWHZAZGTMJK-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)ncn2C
Isomeric Smiles
n1(cnc2nc(nc(c12)Cl)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.617386
LogD (pH = 7.4)
1.6174457
Log P
1.6174464
Molar Refractivity
49.467
Polarizability
18.026407
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
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Molecule Details
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References
Bioactivity
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