Molecule

ID:76817

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₅
Molecular Mass
240.21268
Exact Mass
240.07462149
Charge
0
InChI
InChI=1S/C10H12N2O5/c1-6-4-7(2)11(5-8(13)17-3)10(14)9(6)12(15)16/h4H,5H2,1-3H3
InChIKey
GCESYRZFSYEUQV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1c(C)cc(c(c1=O)[N+](=O)[O-])C
Isomeric Smiles
n1(c(=O)c(c(cc1C)C)[N+](=O)[O-])CC(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.070837565
LogD (pH = 7.4)
0.070837565
Log P
0.070837565
Molar Refractivity
60.1905
Polarizability
21.981796
Polar Surface Area
92.43
Rotatable Bonds
4
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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