Molecule

ID:61271

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆FNO₂
Molecular Mass
191.1585432
Exact Mass
191.03825666
Charge
0
InChI
InChI=1S/C10H6FNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InChIKey
XKQAFSGPGGEGPU-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccccc1F
Isomeric Smiles
N1(C(=O)C=CC1=O)c1c(F)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.388433
LogD (pH = 7.4)
1.3884336
Log P
1.3884336
Molar Refractivity
48.2421
Polarizability
17.7194
Polar Surface Area
37.38
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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