Molecule

ID:116766

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N₃O₅
Molecular Mass
265.22214
Exact Mass
265.06987047
Charge
0
InChI
InChI=1S/C11H11N3O5/c1-12-6(15)4-5(10(17)18)7-8(12)13(2)11(19)14(3)9(7)16/h4H,1-3H3,(H,17,18)
InChIKey
QPOKSOPWDKMKKE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(=O)n(c2c1c(=O)n(c(=O)n2C)C)C
Isomeric Smiles
c12c(n(c(=O)n(c1=O)C)C)n(c(=O)cc2C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.277201
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.4504154
LogD (pH = 7.4)
-4.676777
Log P
-1.2459464
Molar Refractivity
72.7125
Polarizability
23.43456
Polar Surface Area
98.23
Rotatable Bonds
1
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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