Molecule

ID:73997

General Information
Structure
Molecular Formula
C₁₀H₆Cl₂N₂
Molecular Mass
225.07404
Exact Mass
223.99080356
Charge
0
InChI
InChI=1S/C10H6Cl2N2/c11-8-6-9(12)13-14-10(8)7-4-2-1-3-5-7/h1-6H
InChIKey
PPYSGGOWIZSMJL-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c(c1)Cl)c1ccccc1
Isomeric Smiles
n1c(c(cc(n1)Cl)Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2371452
LogD (pH = 7.4)
3.2371457
Log P
3.2371457
Molar Refractivity
59.1995
Polarizability
23.333036
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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