Molecule

ID:39307

General Information
Structure
Molecular Formula
C₁₄H₂₀N₂O₄
Molecular Mass
280.3196
Exact Mass
280.14230713
Charge
0
InChI
InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-11(8-12(17)18)7-10-5-4-6-15-9-10/h4-6,9,11H,7-8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKey
JSWWEGRTQTXLFX-LLVKDONJSA-N
Canonic Smiles
OC(=O)C[C@@H](Cc1cccnc1)NC(=O)OC(C)(C)C
Isomeric Smiles
n1cccc(c1)C[C@H](CC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.109945
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.13337104
LogD (pH = 7.4)
-1.5212296
Log P
0.44688246
Molar Refractivity
72.4567
Polarizability
28.464973
Polar Surface Area
88.52
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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