Molecule

ID:136893

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂FNO
Molecular Mass
241.2602832
Exact Mass
241.09029223
Charge
0
InChI
InChI=1S/C15H12FNO/c1-9(18)17-13-3-5-15-11(8-13)6-10-7-12(16)2-4-14(10)15/h2-5,7-8H,6H2,1H3,(H,17,18)
InChIKey
UAGZFYAGROGZQW-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc2c(c1)Cc1c2ccc(c1)F
Isomeric Smiles
CC(=O)Nc1ccc2c(c1)Cc1c2ccc(c1)F
Calculated Properties
JChem
Acid pKa
14.314409
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1194317
LogD (pH = 7.4)
3.1194317
Log P
3.1194317
Molar Refractivity
69.9528
Polarizability
26.832077
Polar Surface Area
29.1
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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