Molecule

ID:52799

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h1-4,7H,5H2,(H,11,12)(H,13,14)
InChIKey
QULTWXIRPYWHGU-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2ccccc2CC1C(=O)O
Isomeric Smiles
c1ccc2c(c1)NC(=O)C(C2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8848348
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.3690179
LogD (pH = 7.4)
-1.9700611
Log P
1.2512977
Molar Refractivity
50.4776
Polarizability
18.7158
Polar Surface Area
66.4
Rotatable Bonds
1
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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