Molecule

ID:53182

General Information
Structure
MolImage
Molecular Formula
C₈H₄FNO₃
Molecular Mass
181.1206632
Exact Mass
181.01752121
Charge
0
InChI
InChI=1S/C8H4FNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)
InChIKey
UBKGOWGNYKVYEF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(=O)oc(=O)[nH]2
Isomeric Smiles
c1(ccc2c(c1)c(=O)oc(=O)[nH]2)F
Calculated Properties
JChem
Acid pKa
9.453153
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6187642
LogD (pH = 7.4)
1.6151757
Log P
1.6188102
Molar Refractivity
42.0427
Polarizability
15.086372
Polar Surface Area
55.4
Rotatable Bonds
0
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
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References
Bioactivity
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