Molecule

ID:134355

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉N₃O₆
Molecular Mass
337.32786
Exact Mass
337.12738534
Charge
0
InChI
InChI=1S/C15H19N3O6/c16-12(19)7-6-11(14(22)17-8-13(20)21)18-15(23)24-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,16,19)(H,17,22)(H,18,23)(H,20,21)
InChIKey
SOUXAAOTONMPRY-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCC(C(=O)NCC(=O)O)NC(=O)OCc1ccccc1
Isomeric Smiles
c1ccc(cc1)COC(=O)NC(CCC(=O)N)C(=O)NCC(=O)O
Calculated Properties
JChem
Acid pKa
3.5415874
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.6331468
LogD (pH = 7.4)
-4.0440245
Log P
-0.681477
Molar Refractivity
81.5934
Polarizability
31.898893
Polar Surface Area
147.82
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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