Molecule

ID:54223

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₄
Molecular Mass
198.176
Exact Mass
198.06405681
Charge
0
InChI
InChI=1S/C8H10N2O4/c1-10-6(8(12)14-3)4-5(9-10)7(11)13-2/h4H,1-3H3
InChIKey
WGTJNBANTMXQHD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(n(n1)C)C(=O)OC
Isomeric Smiles
n1(c(cc(n1)C(=O)OC)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.51391125
LogD (pH = 7.4)
0.51391125
Log P
0.51391125
Molar Refractivity
58.5175
Polarizability
17.92241
Polar Surface Area
70.42
Rotatable Bonds
4
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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