Molecule

ID:39323

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)22-16(21)18-14(12-15(19)20)11-7-10-13-8-5-4-6-9-13/h4-10,14H,11-12H2,1-3H3,(H,18,21)(H,19,20)/b10-7+/t14-/m1/s1
InChIKey
ZEIROKVMYFFJKQ-DNGMOHDESA-N
Canonic Smiles
OC(=O)C[C@H](NC(=O)OC(C)(C)C)C/C=C/c1ccccc1
Isomeric Smiles
[C@@H](C/C=C/c1ccccc1)(CC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.5540543
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2730432
LogD (pH = 7.4)
0.4996815
Log P
3.2644517
Molar Refractivity
84.9322
Polarizability
32.8351
Polar Surface Area
75.63
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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