Molecule

ID:64628

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Cl₂N₂
Molecular Mass
205.0844
Exact Mass
204.02210369
Charge
0
InChI
InChI=1S/C8H9ClN2.ClH/c9-8-2-1-6-5-10-4-3-7(6)11-8;/h1-2,10H,3-5H2;1H
InChIKey
FRACHJCOMOVESL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(n1)CCNC2.Cl
Isomeric Smiles
n1c2c(ccc1Cl)CNCC2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7433827
LogD (pH = 7.4)
-0.16719006
Log P
1.207856
Molar Refractivity
45.747
Polarizability
17.599504
Polar Surface Area
24.92
Rotatable Bonds
0
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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