Molecule

ID:79644

General Information
Structure
Molecular Formula
C₁₁H₁₁NO
Molecular Mass
173.21114
Exact Mass
173.08406398
Charge
0
InChI
InChI=1S/C11H11NO/c1-8-9(2)13-11(12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey
WPEBMUGUTWAODF-UHFFFAOYSA-N
Canonic Smiles
Cc1oc(nc1C)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)oc(c1C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.270823
LogD (pH = 7.4)
2.2708387
Log P
2.270839
Molar Refractivity
61.6102
Polarizability
20.124025
Polar Surface Area
26.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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