Molecule

ID:53342

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₃
Molecular Mass
220.22458
Exact Mass
220.08479225
Charge
0
InChI
InChI=1S/C11H12N2O3/c1-3-6-13-9-8(5-4-7(2)12-9)10(14)16-11(13)15/h4-5H,3,6H2,1-2H3
InChIKey
CPDARBAVHVULKD-UHFFFAOYSA-N
Canonic Smiles
CCCn1c(=O)oc(=O)c2c1nc(C)cc2
Isomeric Smiles
c1c(nc2c(c1)c(=O)oc(=O)n2CCC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7276305
LogD (pH = 7.4)
1.7276595
Log P
1.7276598
Molar Refractivity
56.9629
Polarizability
21.666616
Polar Surface Area
59.5
Rotatable Bonds
2
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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