Molecule

ID:55180

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂Cl₂N₂
Molecular Mass
195.08958
Exact Mass
194.03775375
Charge
0
InChI
InChI=1S/C7H10N2.2ClH/c1-9-7-5-3-2-4-6(7)8;;/h2-5,9H,8H2,1H3;2*1H
InChIKey
DKEONVNYXODZRQ-UHFFFAOYSA-N
Canonic Smiles
CNc1ccccc1N.Cl.Cl
Isomeric Smiles
c1c(c(ccc1)NC)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.5054294
LogD (pH = 7.4)
0.6154971
Log P
0.617098
Molar Refractivity
40.9522
Polarizability
14.460389
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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