Molecule

ID:122508

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N₃O₃
Molecular Mass
233.22334
Exact Mass
233.08004123
Charge
0
InChI
InChI=1S/C11H11N3O3/c1-17-10(15)6-7-14-11(16)8-4-2-3-5-9(8)12-13-14/h2-5H,6-7H2,1H3
InChIKey
AMJYYJLDFSOBEF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCn1nnc2c(c1=O)cccc2
Isomeric Smiles
n1n(c(=O)c2c(n1)cccc2)CCC(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8735504
LogD (pH = 7.4)
1.8735504
Log P
1.8735504
Molar Refractivity
63.6309
Polarizability
22.31481
Polar Surface Area
71.33
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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