Molecule

ID:15565

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄Cl₂N₂
Molecular Mass
221.12686
Exact Mass
220.05340382
Charge
0
InChI
InChI=1S/C9H12N2.2ClH/c10-11-9-5-7-3-1-2-4-8(7)6-9;;/h1-4,9,11H,5-6,10H2;2*1H
InChIKey
AHTFDEKRFAPYHI-UHFFFAOYSA-N
Canonic Smiles
NNC1Cc2c(C1)cccc2.Cl.Cl
Isomeric Smiles
C1(NN)Cc2c(C1)cccc2.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.94527286
LogD (pH = 7.4)
1.2957419
Log P
1.3026756
Molar Refractivity
57.2431
Polarizability
17.84261
Polar Surface Area
38.05
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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