Molecule

ID:53518

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO
Molecular Mass
173.21114
Exact Mass
173.08406398
Charge
0
InChI
InChI=1S/C11H11NO/c1-2-11(13)9-7-12-10-6-4-3-5-8(9)10/h3-7,12H,2H2,1H3
InChIKey
KMVYYLYKRGELJE-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)c1c[nH]c2c1cccc2
Isomeric Smiles
c1(c[nH]c2c1cccc2)C(=O)CC
Calculated Properties
JChem
Acid pKa
13.369778
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3301911
LogD (pH = 7.4)
2.3301907
Log P
2.3301911
Molar Refractivity
52.1742
Polarizability
21.168194
Polar Surface Area
32.86
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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