Molecule

ID:43344

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁NO₃
Molecular Mass
275.34284
Exact Mass
275.15214354
Charge
0
InChI
InChI=1S/C16H21NO3/c1-12(2)15-10-14(18)8-9-17(15)16(19)20-11-13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3
InChIKey
GTNFRKNOWTVLQQ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(C(C1)C(C)C)C(=O)OCc1ccccc1
Isomeric Smiles
N1(C(=O)OCc2ccccc2)C(CC(=O)CC1)C(C)C
Calculated Properties
JChem
Acid pKa
18.688915
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0478616
LogD (pH = 7.4)
3.0478616
Log P
3.0478616
Molar Refractivity
76.3853
Polarizability
29.984875
Polar Surface Area
46.61
Rotatable Bonds
4
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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