Molecule

ID:128392

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO₂
Molecular Mass
283.79368
Exact Mass
283.13390663
Charge
0
InChI
InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3
InChIKey
WVQBLGZPHOPPFO-UHFFFAOYSA-N
Canonic Smiles
COCC(N(c1c(C)cccc1CC)C(=O)CCl)C
Isomeric Smiles
CCc1cccc(c1N(C(C)COC)C(=O)CCl)C
Calculated Properties
JChem
Acid pKa
16.750046
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.453377
LogD (pH = 7.4)
3.453377
Log P
3.453377
Molar Refractivity
78.9358
Polarizability
30.458733
Polar Surface Area
29.54
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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