Molecule

ID:44856

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃N₃O₃
Molecular Mass
293.36142
Exact Mass
293.17394161
Charge
0
InChI
InChI=1S/C15H23N3O3/c1-14(2,3)12(19)18-11-10(8-7-9-16-11)17-13(20)21-15(4,5)6/h7-9H,1-6H3,(H,17,20)(H,16,18,19)
InChIKey
XYKDKZCRXCENOO-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)Nc1cccnc1NC(=O)C(C)(C)C
Isomeric Smiles
c1cnc(c(c1)NC(=O)OC(C)(C)C)NC(=O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
11.399984
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.2951474
LogD (pH = 7.4)
3.2981584
Log P
3.2982388
Molar Refractivity
83.0722
Polarizability
30.954552
Polar Surface Area
80.32
Rotatable Bonds
5
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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