Molecule

ID:101155

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂
Molecular Mass
189.21054
Exact Mass
189.0789786
Charge
0
InChI
InChI=1S/C11H11NO2/c1-11(2)6-8-4-3-5-9(12-7-13)10(8)14-11/h3-5H,6H2,1-2H3
InChIKey
JTJCJMYVKXVWIJ-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1cccc2c1OC(C2)(C)C
Isomeric Smiles
c12OC(Cc1cccc2N=C=O)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4621704
LogD (pH = 7.4)
2.4621704
Log P
2.4621704
Molar Refractivity
53.9598
Polarizability
19.876198
Polar Surface Area
38.66
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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