Molecule

ID:83307

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₃
Molecular Mass
189.16748
Exact Mass
189.04259309
Charge
0
InChI
InChI=1S/C10H7NO3/c1-6-3-2-4-11(5-6)7-8(12)10(14)9(7)13/h2-5H,1H3
InChIKey
NFYAAAHTLAAZKH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc[n+](c1)C1=C([O-])C(=O)C1=O
Isomeric Smiles
[n+]1(cccc(c1)C)C1=C([O-])C(=O)C1=O
Calculated Properties
JChem
Acid pKa
2.125008
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-3.1514747
LogD (pH = 7.4)
-3.1516004
Log P
-2.9221344
Molar Refractivity
62.1819
Polarizability
18.432096
Polar Surface Area
61.08
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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