Molecule

ID:43747

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₄
Molecular Mass
305.36882
Exact Mass
305.16270822
Charge
0
InChI
InChI=1S/C17H23NO4/c1-17(2,3)22-15(19)12-10-13(16(20)21-4)18-14(12)11-8-6-5-7-9-11/h5-9,12-14,18H,10H2,1-4H3
InChIKey
LMESCXZYKUQWTJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CC(C(N1)c1ccccc1)C(=O)OC(C)(C)C
Isomeric Smiles
C1(C(NC(C1)C(=O)OC)c1ccccc1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8516879
LogD (pH = 7.4)
2.3973355
Log P
2.4114985
Molar Refractivity
81.7768
Polarizability
32.915417
Polar Surface Area
64.63
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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