Molecule

ID:18734

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₄
Molecular Mass
222.1974
Exact Mass
222.06405681
Charge
0
InChI
InChI=1S/C10H10N2O4/c1-15-9(13)5-12-7-3-2-6(11)4-8(7)16-10(12)14/h2-4H,5,11H2,1H3
InChIKey
MNDMDSFKIGMHFP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1c(=O)oc2c1ccc(c2)N
Isomeric Smiles
n1(c(=O)oc2c1ccc(c2)N)CC(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.01036018
LogD (pH = 7.4)
-0.00936856
Log P
-0.009355903
Molar Refractivity
54.9342
Polarizability
20.841145
Polar Surface Area
81.86
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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