Molecule

ID:125412

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₂
Molecular Mass
233.30616
Exact Mass
233.14157885
Charge
0
InChI
InChI=1S/C14H19NO2/c1-11(15-9-3-4-10-15)14(16)12-5-7-13(17-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3
InChIKey
QJWOQBGBEFNYKB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)C(N1CCCC1)C
Isomeric Smiles
C1CCCN1C(C)C(=O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
17.603634
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.4812879
LogD (pH = 7.4)
2.003465
Log P
2.2392824
Molar Refractivity
68.3879
Polarizability
26.585215
Polar Surface Area
29.54
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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