Molecule

ID:87879

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-6-4-10(13)11-9-3-2-7(12)5-8(6)9/h2-5,12H,1H3,(H,11,13)
InChIKey
MLWJMEZPVTZSKE-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)c(C)cc(n2)O
Isomeric Smiles
n1c(cc(c2cc(ccc12)O)C)O
Calculated Properties
JChem
Acid pKa
9.607655
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.6316116
LogD (pH = 7.4)
2.6289814
Log P
2.6316488
Molar Refractivity
49.2958
Polarizability
19.91813
Polar Surface Area
53.35
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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