Molecule

ID:34716

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂N₂
Molecular Mass
231.12168
Exact Mass
230.03775375
Charge
0
InChI
InChI=1S/C10H10N2.2ClH/c11-6-8-2-1-3-9-7-12-5-4-10(8)9;;/h1-5,7H,6,11H2;2*1H
InChIKey
YLLUZJWRTSDELB-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc2c1ccnc2.Cl.Cl
Isomeric Smiles
c12c(CN)cccc1cncc2.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2304451
LogD (pH = 7.4)
-1.3142115
Log P
0.87081856
Molar Refractivity
48.8247
Polarizability
20.42055
Polar Surface Area
38.91
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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