Molecule

ID:107820

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
ZTUKZULGOCFJET-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(=O)N1c1ccccc1
Isomeric Smiles
O=C1CCC(=O)N1c1ccccc1
Calculated Properties
JChem
Acid pKa
17.17424
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.888163
LogD (pH = 7.4)
0.888163
Log P
0.888163
Molar Refractivity
46.9557
Polarizability
18.234413
Polar Surface Area
37.38
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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