Molecule

ID:44145

General Information
Structure
Molecular Formula
C₁₁H₁₁NO₄
Molecular Mass
221.20934
Exact Mass
221.06880784
Charge
0
InChI
InChI=1S/C11H11NO4/c1-12-8-4-3-7(11(14)15-2)5-9(8)16-6-10(12)13/h3-5H,6H2,1-2H3
InChIKey
FEINYHJHLMHJSV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)OCC(=O)N2C
Isomeric Smiles
N1(c2c(OCC1=O)cc(C(=O)OC)cc2)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.622157
LogD (pH = 7.4)
0.622157
Log P
0.622157
Molar Refractivity
55.9663
Polarizability
21.480686
Polar Surface Area
55.84
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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