Molecule

ID:59679

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-6H,1H3,(H,12,13)
InChIKey
HVRCLXXJIQTXHC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cn(c2c1cccc2)C
Isomeric Smiles
c1(cn(c2c1cccc2)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5168962
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.02215794
LogD (pH = 7.4)
-1.4170035
Log P
1.9532667
Molar Refractivity
49.2974
Polarizability
19.626404
Polar Surface Area
42.23
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
No Data Available
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Molecule Details
References
Bioactivity
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