Molecule

ID:17430

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈FNO
Molecular Mass
189.1857232
Exact Mass
189.0589921
Charge
0
InChI
InChI=1S/C11H8FNO/c12-9-3-5-10(6-4-9)13-7-1-2-11(13)8-14/h1-8H
InChIKey
JDANDWLVCIKGCA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1c1ccc(cc1)F
Isomeric Smiles
n1(c2ccc(cc2)F)c(ccc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.141
LogD (pH = 7.4)
2.141
Log P
2.141
Molar Refractivity
62.4883
Polarizability
19.853418
Polar Surface Area
22.0
Rotatable Bonds
2
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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