Molecule

ID:131254

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O₅
Molecular Mass
309.31776
Exact Mass
309.13247072
Charge
0
InChI
InChI=1S/C14H19N3O5/c15-7-12(19)16-11(8-18)13(20)17-10(14(21)22)6-9-4-2-1-3-5-9/h1-5,10-11,18H,6-8,15H2,(H,16,19)(H,17,20)(H,21,22)
InChIKey
JSLVAHYTAJJEQH-UHFFFAOYSA-N
Canonic Smiles
OCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC(=O)CN
Isomeric Smiles
c1ccc(cc1)CC(C(=O)O)NC(=O)C(CO)NC(=O)CN
Calculated Properties
JChem
Acid pKa
3.5581036
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-3.8755183
LogD (pH = 7.4)
-3.996098
Log P
-3.8767538
Molar Refractivity
76.7609
Polarizability
30.236504
Polar Surface Area
141.75
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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