Molecule

ID:112930

General Information
Structure
Molecular Formula
C₁₁H₁₃NO
Molecular Mass
175.22702
Exact Mass
175.09971404
Charge
0
InChI
InChI=1S/C11H13NO/c1-8-7-10-5-3-4-6-11(10)12(8)9(2)13/h3-6,8H,7H2,1-2H3
InChIKey
XIKHMUMEEURMLM-UHFFFAOYSA-N
Canonic Smiles
CC1Cc2c(N1C(=O)C)cccc2
Isomeric Smiles
N1(C(Cc2c1cccc2)C)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5314858
LogD (pH = 7.4)
1.5314858
Log P
1.5314858
Molar Refractivity
51.7653
Polarizability
20.001577
Polar Surface Area
20.31
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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