Molecule

ID:7230

General Information
Structure
MolImage
Molecular Formula
C₉H₈FN
Molecular Mass
149.1649232
Exact Mass
149.06407748
Charge
0
InChI
InChI=1S/C9H8FN/c1-7-2-3-9(10)6-8(7)4-5-11/h2-3,6H,4H2,1H3
InChIKey
COYCHCYSJJZVQR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1CC#N)F
Isomeric Smiles
c1(ccc(c(c1)CC#N)C)F
Calculated Properties
JChem
Acid pKa
13.551189
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3250663
LogD (pH = 7.4)
2.325066
Log P
2.3250663
Molar Refractivity
41.6025
Polarizability
15.272061
Polar Surface Area
23.79
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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