Molecule

ID:15084

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h2-6,11H,1H3
InChIKey
TUWARWGEOHQXCO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(C=O)c[nH]2
Isomeric Smiles
c1(c2c([nH]c1)ccc(c2)OC)C=O
Calculated Properties
JChem
Acid pKa
13.79233
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6268389
LogD (pH = 7.4)
1.6268387
Log P
1.6268389
Molar Refractivity
50.1917
Polarizability
19.955873
Polar Surface Area
42.09
Rotatable Bonds
2
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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