Molecule

ID:47548

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₇
Molecular Mass
379.4043
Exact Mass
379.16310215
Charge
0
InChI
InChI=1S/C19H25NO7/c1-5-25-17(23)12-7-6-8-13(9-12)26-14-10-15(16(21)22)20(11-14)18(24)27-19(2,3)4/h6-9,14-15H,5,10-11H2,1-4H3,(H,21,22)/t14-,15-/m0/s1
InChIKey
LLNQBJGVMJASDM-GJZGRUSLSA-N
Canonic Smiles
CCOC(=O)c1cccc(c1)O[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Isomeric Smiles
[C@@H]1(C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O)Oc1cc(ccc1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
3.3437676
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.591548
LogD (pH = 7.4)
-0.6836655
Log P
2.7327905
Molar Refractivity
95.4111
Polarizability
37.476856
Polar Surface Area
102.37
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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