Molecule

ID:17248

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-15-12-6-2-4-10(8-12)13-7-3-5-11(13)9-14/h2-9H,1H3
InChIKey
VBRDELGRACETAQ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)n1cccc1C=O
Isomeric Smiles
c1(n2c(ccc2)C=O)cc(ccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7488
LogD (pH = 7.4)
1.7488
Log P
1.7488
Molar Refractivity
68.7351
Polarizability
22.728647
Polar Surface Area
31.23
Rotatable Bonds
3
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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