Molecule

ID:96857

General Information
Structure
MolImage
Molecular Formula
C₇H₆FNO
Molecular Mass
139.1270432
Exact Mass
139.04334204
Charge
0
InChI
InChI=1S/C7H6FNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey
YPIGHNIIXYSPKF-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C(=O)N
Isomeric Smiles
NC(=O)c1cc(ccc1)F
Calculated Properties
JChem
Acid pKa
13.875806
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.96658766
LogD (pH = 7.4)
0.9665882
Log P
0.966588
Molar Refractivity
35.3528
Polarizability
12.878212
Polar Surface Area
43.09
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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