Molecule

ID:34101

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO
Molecular Mass
173.21114
Exact Mass
173.08406398
Charge
0
InChI
InChI=1S/C11H11NO/c1-8-4-3-5-10-9(7-13)6-12(2)11(8)10/h3-7H,1-2H3
InChIKey
FWIFXCARKJCTGL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2C)C
Isomeric Smiles
n1(cc(c2c1c(ccc2)C)C=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5216076
LogD (pH = 7.4)
2.5216076
Log P
2.5216076
Molar Refractivity
53.6664
Polarizability
21.002167
Polar Surface Area
22.0
Rotatable Bonds
1
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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