Molecule

ID:97509

General Information
Structure
MolImage
Molecular Formula
C₉H₈FNO
Molecular Mass
165.1643232
Exact Mass
165.0589921
Charge
0
InChI
InChI=1S/C9H8FNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-3,11H,4-5H2
InChIKey
WDJXVWCJNSAMFK-UHFFFAOYSA-N
Canonic Smiles
O=C1CCNc2c1cccc2F
Isomeric Smiles
N1c2c(cccc2F)C(=O)CC1
Calculated Properties
JChem
Acid pKa
10.911583
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7346724
LogD (pH = 7.4)
1.7345881
Log P
1.7347151
Molar Refractivity
45.0113
Polarizability
16.010359
Polar Surface Area
29.1
Rotatable Bonds
0
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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