Molecule

ID:84539

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄Cl₂N₄O₂
Molecular Mass
283.07036
Exact Mass
281.97113075
Charge
0
InChI
InChI=1S/C10H4Cl2N4O2/c11-7-3-5(4-8(12)14-7)9-15-16-10(17-9)6-1-2-13-18-6/h1-4H
InChIKey
ZMOJOQWGYBCXLM-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)c1nnc(o1)c1ccno1
Isomeric Smiles
o1c(nnc1c1cc(nc(c1)Cl)Cl)c1ccno1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7195438
LogD (pH = 7.4)
1.7195438
Log P
1.7195438
Molar Refractivity
88.0816
Polarizability
25.14006
Polar Surface Area
77.84
Rotatable Bonds
2
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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