Molecule

ID:69374

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NO₄
Molecular Mass
341.40092
Exact Mass
341.16270822
Charge
0
InChI
InChI=1S/C20H23NO4/c1-20(2,3)25-19(24)21-17(18(22)23)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKey
NBVVKAUSAGHTSU-QGZVFWFLSA-N
Canonic Smiles
OC(=O)[C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)([C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)OC(C)(C)C)O
Calculated Properties
JChem
Acid pKa
4.1044316
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.8074236
LogD (pH = 7.4)
1.1207896
Log P
4.216938
Molar Refractivity
95.1255
Polarizability
38.413227
Polar Surface Area
75.63
Rotatable Bonds
7
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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