Molecule

ID:90683

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₃
Molecular Mass
265.34802
Exact Mass
265.1677936
Charge
0
InChI
InChI=1S/C15H23NO3/c1-14(2,3)19-13(17)16-15(4,5)11-8-7-9-12(10-11)18-6/h7-10H,1-6H3,(H,16,17)
InChIKey
HTMGAQUGTHEEIQ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(NC(=O)OC(C)(C)C)(C)C
Isomeric Smiles
O(c1cc(ccc1)C(C)(NC(=O)OC(C)(C)C)C)C
Calculated Properties
JChem
Acid pKa
14.179445
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.130592
LogD (pH = 7.4)
3.130592
Log P
3.130592
Molar Refractivity
74.9246
Polarizability
29.473013
Polar Surface Area
47.56
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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