Molecule

ID:18693

General Information
Structure
Molecular Formula
C₁₁H₁₃N₃O₃
Molecular Mass
235.23922
Exact Mass
235.09569129
Charge
0
InChI
InChI=1S/C11H13N3O3/c1-13(2)10(15)6-14-8-4-3-7(12)5-9(8)17-11(14)16/h3-5H,6,12H2,1-2H3
InChIKey
ADYAHGMIHVGXIC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)oc(=O)n2CC(=O)N(C)C
Isomeric Smiles
n1(c(=O)oc2c1ccc(c2)N)CC(=O)N(C)C
Calculated Properties
JChem
Acid pKa
15.260775
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.5160561
LogD (pH = 7.4)
-0.5148558
Log P
-0.5148404
Molar Refractivity
61.7807
Polarizability
23.08342
Polar Surface Area
75.87
Rotatable Bonds
2
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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