Molecule

ID:38949

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₆
Molecular Mass
325.35692
Exact Mass
325.15253746
Charge
0
InChI
InChI=1S/C16H23NO6/c1-16(2,3)23-15(20)17-11(14(18)19)8-10-6-7-12(21-4)13(9-10)22-5/h6-7,9,11H,8H2,1-5H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKey
ADWMFTMMXMHMHB-NSHDSACASA-N
Canonic Smiles
COc1cc(ccc1OC)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
c1(c(cc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)OC)OC
Calculated Properties
JChem
Acid pKa
3.669435
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.42603806
LogD (pH = 7.4)
-1.0631602
Log P
2.25437
Molar Refractivity
82.9157
Polarizability
32.58787
Polar Surface Area
94.09
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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