Molecule

ID:24672

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₃
Molecular Mass
189.16748
Exact Mass
189.04259309
Charge
0
InChI
InChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)
InChIKey
MFSHNFBQNVGXJX-UHFFFAOYSA-N
Canonic Smiles
Oc1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c1(C(=O)O)c2c(nc(c1)O)cccc2
Calculated Properties
JChem
Acid pKa
3.5383117
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.12443464
LogD (pH = 7.4)
-1.2842952
Log P
2.0793755
Molar Refractivity
49.5299
Polarizability
19.87733
Polar Surface Area
70.42
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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