Molecule

ID:108003

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N₃O₃
Molecular Mass
275.30308
Exact Mass
275.12699142
Charge
0
InChI
InChI=1S/C14H17N3O3/c1-4-20-14(19)15-12-10(2)16(3)17(13(12)18)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,15,19)
InChIKey
FZZLKRCXBIYQRN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
Isomeric Smiles
CCOC(=O)Nc1c(C)n(C)n(c1=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
11.22597
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1299114
LogD (pH = 7.4)
1.1298548
Log P
1.1299123
Molar Refractivity
75.8577
Polarizability
28.346819
Polar Surface Area
61.88
Rotatable Bonds
4
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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