Molecule

ID:38172

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₇NO₅
Molecular Mass
301.37858
Exact Mass
301.18892297
Charge
0
InChI
InChI=1S/C15H27NO5/c1-13(2,3)20-11(17)16-15(8-7-9-15)10-19-12(18)21-14(4,5)6/h7-10H2,1-6H3,(H,16,17)
InChIKey
FNYPNRSCMNVOAU-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)OCC1(CCC1)NC(=O)OC(C)(C)C
Isomeric Smiles
C1CCC1(NC(=O)OC(C)(C)C)COC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.106049
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1248145
LogD (pH = 7.4)
3.1248145
Log P
3.1248145
Molar Refractivity
77.3666
Polarizability
31.046822
Polar Surface Area
73.86
Rotatable Bonds
8
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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