Molecule

ID:34945

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9/h2-6,11H,1H3
InChIKey
DRYBMFJLYYEOBZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)cc[nH]2
Isomeric Smiles
C(=O)(c1cc2c([nH]cc2)cc1)OC
Calculated Properties
JChem
Acid pKa
15.664605
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0754848
LogD (pH = 7.4)
2.0754848
Log P
2.0754848
Molar Refractivity
49.1698
Polarizability
19.959286
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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