Molecule

ID:76065

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂Cl₂N₂
Molecular Mass
195.08958
Exact Mass
194.03775375
Charge
0
InChI
InChI=1S/C7H10N2.2ClH/c1-8-6-7-4-2-3-5-9-7;;/h2-5,8H,6H2,1H3;2*1H
InChIKey
UWUAILSWRYUAMP-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccccn1.Cl.Cl
Isomeric Smiles
n1c(cccc1)CNC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.37277
LogD (pH = 7.4)
-0.6848164
Log P
0.39539412
Molar Refractivity
36.6269
Polarizability
14.65115
Polar Surface Area
24.92
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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