Molecule

ID:100305

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNO
Molecular Mass
151.1377432
Exact Mass
151.04334204
Charge
0
InChI
InChI=1S/C8H6FNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKey
WKDSLMNPSVQOES-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2c(C1)c(F)ccc2
Isomeric Smiles
N1c2cccc(c2CC1=O)F
Calculated Properties
JChem
Acid pKa
10.937882
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2147505
LogD (pH = 7.4)
1.2146264
Log P
1.2147521
Molar Refractivity
39.8013
Polarizability
14.18342
Polar Surface Area
29.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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