Molecule

ID:44147

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO₄
Molecular Mass
235.23592
Exact Mass
235.0844579
Charge
0
InChI
InChI=1S/C12H13NO4/c1-7-11(14)13(2)9-5-4-8(12(15)16-3)6-10(9)17-7/h4-7H,1-3H3
InChIKey
UEYUTFWHRDPPML-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)OC(C(=O)N2C)C
Isomeric Smiles
N1(C(=O)C(Oc2c1ccc(C(=O)OC)c2)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1909212
LogD (pH = 7.4)
1.1909212
Log P
1.1909212
Molar Refractivity
60.4602
Polarizability
23.308716
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
No Data Available
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Molecule Details
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References
Bioactivity
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