Molecule

ID:77081

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-14-10-5-3-4-8-7(10)6-9(12-8)11(13)15-2/h3-6,12H,1-2H3
InChIKey
GLCZQTLCVLVFGV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1[nH]c2c(c1)c(OC)ccc2
Isomeric Smiles
[nH]1c2c(c(ccc2)OC)cc1C(=O)OC
Calculated Properties
JChem
Acid pKa
11.480188
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8378142
LogD (pH = 7.4)
1.837783
Log P
1.8378147
Molar Refractivity
55.5105
Polarizability
22.478361
Polar Surface Area
51.32
Rotatable Bonds
3
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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