Molecule

ID:39178

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₅
Molecular Mass
309.35752
Exact Mass
309.15762284
Charge
0
InChI
InChI=1S/C16H23NO5/c1-16(2,3)22-15(20)17-13(14(18)19)9-10-21-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKey
RFDXPGUBDAKLDM-ZDUSSCGKSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@H](C(=O)O)CCOCc1ccccc1
Isomeric Smiles
[C@H](CCOCc1ccccc1)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.9557118
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.74198955
LogD (pH = 7.4)
-0.88988364
Log P
2.2940354
Molar Refractivity
81.1432
Polarizability
31.885212
Polar Surface Area
84.86
Rotatable Bonds
9
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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