Molecule

ID:18066

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO
Molecular Mass
177.1750232
Exact Mass
177.0589921
Charge
0
InChI
InChI=1S/C10H8FNO/c1-12-5-7(6-13)9-3-2-8(11)4-10(9)12/h2-6H,1H3
InChIKey
IQKABDVTBNOGEW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1ccc(c2)F)C
Isomeric Smiles
n1(c2c(c(c1)C=O)ccc(c2)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1508882
LogD (pH = 7.4)
2.1508882
Log P
2.1508882
Molar Refractivity
48.8416
Polarizability
18.839235
Polar Surface Area
22.0
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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