Molecule

ID:59568

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N₃O₃
Molecular Mass
233.22334
Exact Mass
233.08004123
Charge
0
InChI
InChI=1S/C11H11N3O3/c1-7(11(16)17-2)14-10(15)8-5-3-4-6-9(8)12-13-14/h3-7H,1-2H3/t7-/m0/s1
InChIKey
SOIJMJMOFDJXPU-ZETCQYMHSA-N
Canonic Smiles
COC(=O)[C@@H](n1nnc2c(c1=O)cccc2)C
Isomeric Smiles
n1(nnc2c(c1=O)cccc2)[C@H](C(=O)OC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.205302
LogD (pH = 7.4)
2.205302
Log P
2.205302
Molar Refractivity
63.4254
Polarizability
22.31468
Polar Surface Area
71.33
Rotatable Bonds
3
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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