Molecule

ID:102957

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3
InChIKey
JBOPQACSHPPKEP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1c[nH]c2c1cccc2
Isomeric Smiles
CC(=O)Oc1c[nH]c2c1cccc2
Calculated Properties
JChem
Acid pKa
14.889799
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6792688
LogD (pH = 7.4)
1.6792687
Log P
1.6792688
Molar Refractivity
48.2769
Polarizability
19.969925
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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