Molecule

ID:43012

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₃
Molecular Mass
263.33214
Exact Mass
263.15214354
Charge
0
InChI
InChI=1S/C15H21NO3/c1-5-19-13(17)10-16-14(18)11-6-8-12(9-7-11)15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,18)
InChIKey
ZPBBQNVIGBOLPA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNC(=O)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
C(=O)(NCC(=O)OCC)c1ccc(C(C)(C)C)cc1
Calculated Properties
JChem
Acid pKa
15.08961
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5733037
LogD (pH = 7.4)
2.5733037
Log P
2.5733037
Molar Refractivity
74.3013
Polarizability
28.58031
Polar Surface Area
55.4
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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