Molecule

ID:94221

General Information
Structure
MolImage
Molecular Formula
C₇H₈FN
Molecular Mass
125.1435232
Exact Mass
125.06407748
Charge
0
InChI
InChI=1S/C7H8FN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey
LDVAIJZDACHGML-UHFFFAOYSA-N
Canonic Smiles
CNc1ccccc1F
Isomeric Smiles
N(c1c(cccc1)F)C
Calculated Properties
JChem
Acid pKa
19.44044
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5867006
LogD (pH = 7.4)
1.5887003
Log P
1.5887259
Molar Refractivity
36.4682
Polarizability
12.966618
Polar Surface Area
12.03
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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