Molecule

ID:85685

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₄
Molecular Mass
209.19864
Exact Mass
209.06880784
Charge
0
InChI
InChI=1S/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H3
InChIKey
DSSKDXUDARIMTR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)N)C(=O)OC
Isomeric Smiles
O=C(c1ccc(cc1N)C(=O)OC)OC
Calculated Properties
JChem
Acid pKa
17.849194
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8012663
LogD (pH = 7.4)
1.8012737
Log P
1.8012738
Molar Refractivity
54.809
Polarizability
20.370758
Polar Surface Area
78.62
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
References
Bioactivity
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