Molecule

ID:69144

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂N₄
Molecular Mass
203.02876
Exact Mass
201.98130151
Charge
0
InChI
InChI=1S/C6H4Cl2N4/c1-2-3-4(7)9-6(8)10-5(3)12-11-2/h1H3,(H,9,10,11,12)
InChIKey
WAVYWHRLGFPXMJ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)[nH]nc2C
Isomeric Smiles
c1(nc2c(c(n1)Cl)c(n[nH]2)C)Cl
Calculated Properties
JChem
Acid pKa
9.37965
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6042701
LogD (pH = 7.4)
1.5999815
Log P
1.6044017
Molar Refractivity
48.6462
Polarizability
18.022614
Polar Surface Area
54.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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