Molecule

ID:17200

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-6-9(10(12)13)7-4-2-3-5-8(7)11-6/h2-5,11H,1H3,(H,12,13)
InChIKey
BHFYJMNOBRLYSC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(C)[nH]c2c1cccc2
Isomeric Smiles
c12c(c([nH]c1cccc2)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3401332
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.21555175
LogD (pH = 7.4)
-1.4881339
Log P
1.929152
Molar Refractivity
49.5504
Polarizability
19.62843
Polar Surface Area
53.09
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
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Molecule Details
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References
Bioactivity
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