Molecule

ID:115652

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N₃O₄
Molecular Mass
317.33976
Exact Mass
317.1375561
Charge
0
InChI
InChI=1S/C16H19N3O4/c20-13(21)11-19-14(22)16(17-15(19)23)6-8-18(9-7-16)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,23)(H,20,21)
InChIKey
SQVWAFNWFNAQLX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(=O)NC2(C1=O)CCN(CC2)Cc1ccccc1
Isomeric Smiles
N1(C(=O)NC2(C1=O)CCN(CC2)Cc1ccccc1)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.3898149
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.50206
LogD (pH = 7.4)
-2.5134308
Log P
-2.500555
Molar Refractivity
82.1309
Polarizability
31.800745
Polar Surface Area
89.95
Rotatable Bonds
4
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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