Molecule

ID:15028

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂
Molecular Mass
189.21054
Exact Mass
189.0789786
Charge
0
InChI
InChI=1S/C11H11NO2/c1-12-6-5-8-3-4-9(7-10(8)12)11(13)14-2/h3-7H,1-2H3
InChIKey
NMILWYUYIFMKTE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)n(C)cc2
Isomeric Smiles
n1(ccc2ccc(cc12)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.299161
LogD (pH = 7.4)
2.299161
Log P
2.299161
Molar Refractivity
54.0665
Polarizability
21.72542
Polar Surface Area
31.23
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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