Molecule

ID:97205

General Information
Structure
MolImage
Molecular Formula
C₉H₆FNO
Molecular Mass
163.1484432
Exact Mass
163.04334204
Charge
0
InChI
InChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H
InChIKey
OISYVFVUDOSQRB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1ocnc1
Isomeric Smiles
o1c(cnc1)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6250591
LogD (pH = 7.4)
1.6250656
Log P
1.6250656
Molar Refractivity
41.9975
Polarizability
16.908907
Polar Surface Area
26.03
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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