Molecule

ID:59370

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-7-2-3-9(12)8(6-7)10-4-5-11-13-10/h2-6,12H,1H3
InChIKey
OZKYVNKXVHASGF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)c1ccno1)O
Isomeric Smiles
o1nccc1c1c(ccc(c1)C)O
Calculated Properties
JChem
Acid pKa
9.131637
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1147716
LogD (pH = 7.4)
2.1069446
Log P
2.114874
Molar Refractivity
49.5358
Polarizability
19.638266
Polar Surface Area
46.26
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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