Molecule

ID:24287

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂
Molecular Mass
194.66074
Exact Mass
194.06107604
Charge
0
InChI
InChI=1S/C10H11ClN2/c11-10-5-2-1-4-9(10)8-13-7-3-6-12/h1-2,4-5,13H,3,7-8H2
InChIKey
FYHLZGLZXYOLPA-UHFFFAOYSA-N
Canonic Smiles
N#CCCNCc1ccccc1Cl
Isomeric Smiles
N#CCCNCc1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7158715
LogD (pH = 7.4)
1.8348128
Log P
1.9085842
Molar Refractivity
53.8741
Polarizability
20.922926
Polar Surface Area
35.82
Rotatable Bonds
4
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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