Molecule

ID:98851

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO
Molecular Mass
177.1750232
Exact Mass
177.0589921
Charge
0
InChI
InChI=1S/C10H8FNO/c1-6(13)8-4-7-2-3-12-10(7)9(11)5-8/h2-5,12H,1H3
InChIKey
RGHWJYVPTAEIPT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cc(F)c2c(c1)cc[nH]2
Isomeric Smiles
[nH]1c2c(cc(cc2cc1)C(=O)C)F
Calculated Properties
JChem
Acid pKa
14.228709
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7723572
LogD (pH = 7.4)
1.7723572
Log P
1.7723572
Molar Refractivity
47.7637
Polarizability
18.919456
Polar Surface Area
32.86
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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