Molecule

ID:101830

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄Cl₂N₂
Molecular Mass
209.11616
Exact Mass
208.05340382
Charge
0
InChI
InChI=1S/C8H12N2.2ClH/c1-9-10-7-8-5-3-2-4-6-8;;/h2-6,9-10H,7H2,1H3;2*1H
InChIKey
RIASLRQWAWHZDA-UHFFFAOYSA-N
Canonic Smiles
CNNCc1ccccc1.Cl.Cl
Isomeric Smiles
N(NC)Cc1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.7175587
LogD (pH = 7.4)
1.1291862
Log P
1.1380349
Molar Refractivity
63.8358
Polarizability
16.898638
Polar Surface Area
24.06
Rotatable Bonds
3
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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