Molecule

ID:15516

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₃N₂
Molecular Mass
259.5191
Exact Mass
257.95183121
Charge
0
InChI
InChI=1S/C10H5Cl3N2/c11-7-3-1-6(2-4-7)10-8(12)5-9(13)14-15-10/h1-5H
InChIKey
WYUZKRNSDCKUSM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1nnc(cc1Cl)Cl
Isomeric Smiles
c1(c(cc(nn1)Cl)Cl)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8411899
LogD (pH = 7.4)
3.8411903
Log P
3.8411903
Molar Refractivity
64.0043
Polarizability
25.223267
Polar Surface Area
25.78
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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