Molecule

ID:67841

General Information
Structure
MolImage
Molecular Formula
C₇H₈Cl₂N₄O
Molecular Mass
235.07062
Exact Mass
234.00751626
Charge
0
InChI
InChI=1S/C7H8Cl2N4O/c8-5-10-6(9)12-7(11-5)13-1-3-14-4-2-13/h1-4H2
InChIKey
UQAMDAUJTXFNAD-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(nc(n1)Cl)N1CCOCC1
Isomeric Smiles
n1c(nc(nc1N1CCOCC1)Cl)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.241162
LogD (pH = 7.4)
2.241162
Log P
2.241162
Molar Refractivity
56.9679
Polarizability
20.3428
Polar Surface Area
51.14
Rotatable Bonds
1
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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