Molecule

ID:44570

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₂
Molecular Mass
233.30616
Exact Mass
233.14157885
Charge
0
InChI
InChI=1S/C14H19NO2/c16-14-6-8-15(9-7-14)10-11-17-12-13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKey
PYNDXOVZONJXIJ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(CC1)CCOCc1ccccc1
Isomeric Smiles
N1(CCC(=O)CC1)CCOCc1ccccc1
Calculated Properties
JChem
Acid pKa
18.073877
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.86314523
LogD (pH = 7.4)
1.8052973
Log P
1.8506304
Molar Refractivity
68.1196
Polarizability
26.619877
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
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Molecule Details
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References
Bioactivity
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