Molecule

ID:76290

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClNO₃
Molecular Mass
313.81966
Exact Mass
313.14447131
Charge
0
InChI
InChI=1S/C16H23NO3.ClH/c1-3-20-15(18)16(9-4-10-17-12-16)11-13-5-7-14(19-2)8-6-13;/h5-8,17H,3-4,9-12H2,1-2H3;1H
InChIKey
ZLFZZTHMDUSMIH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCCNC1)Cc1ccc(cc1)OC.Cl
Isomeric Smiles
N1CC(C(=O)OCC)(Cc2ccc(cc2)OC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5899448
LogD (pH = 7.4)
0.74863416
Log P
2.5155573
Molar Refractivity
78.0992
Polarizability
30.979229
Polar Surface Area
47.56
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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