Molecule

ID:97211

General Information
Structure
MolImage
Molecular Formula
C₇H₇FN₂O
Molecular Mass
154.1416832
Exact Mass
154.05424107
Charge
0
InChI
InChI=1S/C7H7FN2O/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
PAWVOCWEWJXILY-UHFFFAOYSA-N
Canonic Smiles
NC(=O)Nc1ccccc1F
Isomeric Smiles
Fc1c(cccc1)NC(=O)N
Calculated Properties
JChem
Acid pKa
11.642368
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.0201123
LogD (pH = 7.4)
1.020089
Log P
1.0201126
Molar Refractivity
39.8141
Polarizability
14.23441
Polar Surface Area
55.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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