Molecule

ID:55236

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClNO₃
Molecular Mass
313.81966
Exact Mass
313.14447131
Charge
0
InChI
InChI=1S/C16H23NO3.ClH/c1-19-15-5-3-14(4-6-15)12-17-9-7-13(8-10-17)11-16(18)20-2;/h3-6,13H,7-12H2,1-2H3;1H
InChIKey
GWNNWATVZSXVCV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1CCN(CC1)Cc1ccc(cc1)OC.Cl
Isomeric Smiles
N1(Cc2ccc(cc2)OC)CCC(CC(=O)OC)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.8130291
LogD (pH = 7.4)
0.9104862
Log P
2.1645775
Molar Refractivity
78.79
Polarizability
30.977211
Polar Surface Area
38.77
Rotatable Bonds
6
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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