Molecule

ID:81026

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄Cl₄N₂O
Molecular Mass
309.96356
Exact Mass
307.90777348
Charge
0
InChI
InChI=1S/C10H4Cl4N2O/c11-6-3-1-5(2-4-6)9-15-10(17-16-9)7(12)8(13)14/h1-4H
InChIKey
YSXNDROQLRBTON-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1noc(n1)C(=C(Cl)Cl)Cl
Isomeric Smiles
n1c(C(=C(Cl)Cl)Cl)onc1c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5955534
LogD (pH = 7.4)
4.5955534
Log P
4.5955534
Molar Refractivity
91.1693
Polarizability
26.826145
Polar Surface Area
38.92
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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