Molecule

ID:51253

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-6-4-8(11(13)14-3)10-9(5-6)12-7(2)15-10/h4-5H,1-3H3
InChIKey
RXSJCIPIBSXOEX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(C)cc2c1oc(n2)C
Isomeric Smiles
c1(c2c(nc(o2)C)cc(c1)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9598261
LogD (pH = 7.4)
1.9598285
Log P
1.9598285
Molar Refractivity
54.2303
Polarizability
21.779568
Polar Surface Area
52.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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