Molecule

ID:11395

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c12-9(13)6-11-5-7-3-1-2-4-8(7)10(11)14/h1-4H,5-6H2,(H,12,13)
InChIKey
FPVHLXPCDHFPPN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1Cc2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1)cccc2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.4684467
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5215449
LogD (pH = 7.4)
-2.8841236
Log P
0.5004488
Molar Refractivity
49.569
Polarizability
18.517477
Polar Surface Area
57.61
Rotatable Bonds
2
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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