Molecule

ID:97275

General Information
Structure
MolImage
Molecular Formula
C₇H₄FNO₂
Molecular Mass
153.1105632
Exact Mass
153.02260659
Charge
0
InChI
InChI=1S/C7H4FNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChIKey
KXMRAGBOYTUYGL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)[nH]c(=O)o2
Isomeric Smiles
[nH]1c2c(ccc(c2)F)oc1=O
Calculated Properties
JChem
Acid pKa
9.322277
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4742664
LogD (pH = 7.4)
1.469424
Log P
1.4743285
Molar Refractivity
36.4806
Polarizability
13.107666
Polar Surface Area
38.33
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
References
Bioactivity
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