Molecule

ID:38675

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₄
Molecular Mass
340.3731
Exact Mass
340.14230713
Charge
0
InChI
InChI=1S/C19H20N2O4/c20-10-9-17(18(22)23)21-19(24)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11,20H2,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKey
ZZDRDGKSMGGBDI-QGZVFWFLSA-N
Canonic Smiles
NCC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
O=C([C@@H](CCN)NC(=O)OCC1c2c(c3c1cccc3)cccc2)O
Calculated Properties
JChem
Acid pKa
3.4882355
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.31456774
LogD (pH = 7.4)
-0.3128515
Log P
-0.31186482
Molar Refractivity
92.6437
Polarizability
37.362446
Polar Surface Area
101.65
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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