Molecule

ID:15620

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-13-9-4-2-3-7-5-8(6-12)11-10(7)9/h2-6,11H,1H3
InChIKey
GNXQSRRPZKDXHA-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1[nH]c(c2)C=O
Isomeric Smiles
c1ccc2c(c1OC)[nH]c(c2)C=O
Calculated Properties
JChem
Acid pKa
11.928741
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5468398
LogD (pH = 7.4)
1.5468287
Log P
1.54684
Molar Refractivity
50.0692
Polarizability
19.962475
Polar Surface Area
42.09
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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