Molecule

ID:80916

General Information
Structure
Molecular Formula
C₁₁H₁₁N₃O₃
Molecular Mass
233.22334
Exact Mass
233.08004123
Charge
0
InChI
InChI=1S/C11H11N3O3/c1-2-17-11(16)9-13-8-6-4-3-5-7(8)10(15)14(9)12/h3-6H,2,12H2,1H3
InChIKey
DFZDBVNZBHJMPT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2ccccc2c(=O)n1N
Isomeric Smiles
n1(c(nc2c(cccc2)c1=O)C(=O)OCC)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1725034
LogD (pH = 7.4)
1.1725931
Log P
1.1725943
Molar Refractivity
63.1866
Polarizability
22.753725
Polar Surface Area
84.99
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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