Molecule

ID:24284

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO₂
Molecular Mass
241.71394
Exact Mass
241.08695644
Charge
0
InChI
InChI=1S/C12H16ClNO2/c1-2-16-12(15)7-8-14-9-10-5-3-4-6-11(10)13/h3-6,14H,2,7-9H2,1H3
InChIKey
RNHZZWRYSBGXKW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCNCc1ccccc1Cl
Isomeric Smiles
C(=O)(CCNCc1c(Cl)cccc1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.34397236
LogD (pH = 7.4)
1.3662364
Log P
2.3533373
Molar Refractivity
64.4125
Polarizability
25.53689
Polar Surface Area
38.33
Rotatable Bonds
7
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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