Molecule

ID:11270

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c1-5-4-8(13)14-10-6(5)2-3-7(12)9(10)11/h2-4,12H,11H2,1H3
InChIKey
OBCTUTOUGBMEOK-UHFFFAOYSA-N
Canonic Smiles
O=c1cc(C)c2c(o1)c(N)c(cc2)O
Isomeric Smiles
c12c(c(cc(=O)o2)C)ccc(c1N)O
Calculated Properties
JChem
Acid pKa
8.650557
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.9490904
LogD (pH = 7.4)
0.9266052
Log P
0.95026296
Molar Refractivity
52.5119
Polarizability
19.30591
Polar Surface Area
72.55
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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