Molecule

ID:113690

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-7(2)12-9-6-4-3-5-8(9)10(13)15-11(12)14/h3-7H,1-2H3
InChIKey
XWMZOTFLUVOHGM-UHFFFAOYSA-N
Canonic Smiles
CC(n1c(=O)oc(=O)c2c1cccc2)C
Isomeric Smiles
c1(=O)oc(=O)c2c(n1C(C)C)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1135573
LogD (pH = 7.4)
2.1135573
Log P
2.1135573
Molar Refractivity
54.1096
Polarizability
20.762396
Polar Surface Area
46.61
Rotatable Bonds
1
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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