Molecule

ID:86131

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂N₄O₂
Molecular Mass
311.12352
Exact Mass
310.00243088
Charge
0
InChI
InChI=1S/C12H8Cl2N4O2/c13-5-9-15-11(17-19-9)7-1-2-8(4-3-7)12-16-10(6-14)20-18-12/h1-4H,5-6H2
InChIKey
XYVWSKCZAUTBLI-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)c1ccc(cc1)c1noc(n1)CCl
Isomeric Smiles
n1c(onc1c1ccc(cc1)c1noc(n1)CCl)CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.9000664
LogD (pH = 7.4)
3.9000664
Log P
3.9000664
Molar Refractivity
96.5002
Polarizability
28.555023
Polar Surface Area
77.84
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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