Molecule

ID:79229

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄Cl₄N₂O
Molecular Mass
309.96356
Exact Mass
307.90777348
Charge
0
InChI
InChI=1S/C10H4Cl4N2O/c11-5-1-2-8(6(12)3-5)16-10(17)9(14)7(13)4-15-16/h1-4H
InChIKey
MBOSIQQMKNDSDJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)n1ncc(c(c1=O)Cl)Cl
Isomeric Smiles
n1(c2c(cc(cc2)Cl)Cl)c(=O)c(c(cn1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8583224
LogD (pH = 7.4)
3.8583224
Log P
3.8583224
Molar Refractivity
69.8274
Polarizability
26.321321
Polar Surface Area
32.67
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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