Molecule

ID:134229

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O₄
Molecular Mass
293.31836
Exact Mass
293.1375561
Charge
0
InChI
InChI=1S/C14H19N3O4/c1-9(2)8-13(15-10(3)18)14(19)16-11-4-6-12(7-5-11)17(20)21/h4-7,9,13H,8H2,1-3H3,(H,15,18)(H,16,19)/t13-/m0/s1
InChIKey
SLJKQHDBYBGOMH-ZDUSSCGKSA-N
Canonic Smiles
CC(C[C@@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)C)C
Isomeric Smiles
CC(C)C[C@@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)C
Calculated Properties
JChem
Acid pKa
11.981727
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8685313
LogD (pH = 7.4)
1.8685213
Log P
1.8685316
Molar Refractivity
79.2167
Polarizability
29.384752
Polar Surface Area
104.02
Rotatable Bonds
6
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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