Molecule

ID:34154

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₂
Molecular Mass
233.30616
Exact Mass
233.14157885
Charge
0
InChI
InChI=1S/C14H19NO2/c1-17-14(16)13-8-5-10-15(13)11-9-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-/m0/s1
InChIKey
NTUORBPSIHMIFV-ZDUSSCGKSA-N
Canonic Smiles
COC(=O)[C@@H]1CCCN1CCc1ccccc1
Isomeric Smiles
N1([C@@H](CCC1)C(=O)OC)CCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.49156332
LogD (pH = 7.4)
2.1125016
Log P
2.4449348
Molar Refractivity
67.4957
Polarizability
26.546535
Polar Surface Area
29.54
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
No Data Available
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Molecule Details
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References
Bioactivity
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