Molecule

ID:85120

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Cl₄N₂
Molecular Mass
297.99592
Exact Mass
295.94415899
Charge
0
InChI
InChI=1S/C10H8Cl4N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-4,9,16H,5H2
InChIKey
OVIJHSVAAISBQV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C1=NNC(C1)C(Cl)(Cl)Cl
Isomeric Smiles
N1=C(c2ccc(cc2)Cl)CC(N1)C(Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
19.832699
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6479726
LogD (pH = 7.4)
3.6480637
Log P
3.6480649
Molar Refractivity
79.8993
Polarizability
26.617546
Polar Surface Area
24.39
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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