Molecule

ID:76633

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O₃
Molecular Mass
221.21264
Exact Mass
221.08004123
Charge
0
InChI
InChI=1S/C10H11N3O3/c1-3-16-10(15)7-13(8(2)14)6-9(4-11)5-12/h6H,3,7H2,1-2H3
InChIKey
UXTZMBKRLQBDHF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN(C(=O)C)C=C(C#N)C#N
Isomeric Smiles
N(CC(=O)OCC)(C=C(C#N)C#N)C(=O)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.6349639
LogD (pH = 7.4)
-0.6349639
Log P
-0.6349639
Molar Refractivity
54.9023
Polarizability
20.684761
Polar Surface Area
94.19
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
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References
Bioactivity
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