Molecule

ID:69675

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₂
Molecular Mass
191.22642
Exact Mass
191.09462866
Charge
0
InChI
InChI=1S/C11H13NO2/c1-8(2)12-11(14)10-5-3-9(7-13)4-6-10/h3-8H,1-2H3,(H,12,14)
InChIKey
OMFHZDXZIJJKFP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)C(=O)NC(C)C
Isomeric Smiles
C(=O)(c1ccc(cc1)C=O)NC(C)C
Calculated Properties
JChem
Acid pKa
14.534629
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5334474
LogD (pH = 7.4)
1.5334475
Log P
1.5334475
Molar Refractivity
55.7845
Polarizability
20.578121
Polar Surface Area
46.17
Rotatable Bonds
3
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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