Molecule

ID:71062

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO₂
Molecular Mass
241.71394
Exact Mass
241.08695644
Charge
0
InChI
InChI=1S/C12H16ClNO2/c1-12(2,11(15)16-3)14-8-9-4-6-10(13)7-5-9/h4-7,14H,8H2,1-3H3
InChIKey
VVNMUGRBNPENJS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(NCc1ccc(cc1)Cl)(C)C
Isomeric Smiles
C(=O)(C(NCc1ccc(Cl)cc1)(C)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1671727
LogD (pH = 7.4)
2.7453148
Log P
2.761047
Molar Refractivity
64.1717
Polarizability
25.532389
Polar Surface Area
38.33
Rotatable Bonds
5
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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