Molecule

ID:124105

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀Cl₂N₂
Molecular Mass
241.1165
Exact Mass
240.02210369
Charge
0
InChI
InChI=1S/C11H10Cl2N2/c1-8-14-10(12)11(13)15(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
IVNCBDYKAQQTBV-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(n(c1Cl)Cc1ccccc1)C
Isomeric Smiles
n1(c(c(nc1C)Cl)Cl)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.064215
LogD (pH = 7.4)
3.069203
Log P
3.0692668
Molar Refractivity
63.6348
Polarizability
24.144077
Polar Surface Area
17.82
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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