Molecule

ID:91103

General Information
Structure
Molecular Formula
C₁₀H₁₁NO₂
Molecular Mass
177.19984
Exact Mass
177.0789786
Charge
0
InChI
InChI=1S/C10H11NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)
InChIKey
AFZTYHRVDOKRKV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)C(=O)C
Isomeric Smiles
O=C(c1cc(ccc1)NC(=O)C)C
Calculated Properties
JChem
Acid pKa
14.040635
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7686037
LogD (pH = 7.4)
0.7686036
Log P
0.7686037
Molar Refractivity
51.3238
Polarizability
18.942009
Polar Surface Area
46.17
Rotatable Bonds
2
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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