Molecule

ID:63708

General Information
Structure
Molecular Formula
C₁₆H₂₁NO₃
Molecular Mass
275.34284
Exact Mass
275.15214354
Charge
0
InChI
InChI=1S/C16H21NO3/c1-2-20-16(19)11-14-8-9-17(15(18)10-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKey
DDIHKSWIKSZMGG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1CCN(C(=O)C1)Cc1ccccc1
Isomeric Smiles
C1(=O)N(CCC(C1)CC(=O)OCC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7271563
LogD (pH = 7.4)
1.7271565
Log P
1.7271565
Molar Refractivity
76.7009
Polarizability
29.986656
Polar Surface Area
46.61
Rotatable Bonds
6
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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