Molecule

ID:68963

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁NO₃
Molecular Mass
275.34284
Exact Mass
275.15214354
Charge
0
InChI
InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-10-9-13(18)11-14(17)12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3
InChIKey
UMUHNUZMXNXCMV-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(C(C1)c1ccccc1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(CC(=O)CC1)c1ccccc1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
18.605438
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8575182
LogD (pH = 7.4)
2.8575182
Log P
2.8575182
Molar Refractivity
76.4467
Polarizability
29.986113
Polar Surface Area
46.61
Rotatable Bonds
3
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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