Molecule

ID:7373

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀FN
Molecular Mass
139.1701032
Exact Mass
139.07972755
Charge
0
InChI
InChI=1S/C8H10FN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,5,10H2,1H3
InChIKey
PQXWYQZQCWWMDQ-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(c(c1)C)F
Isomeric Smiles
c1c(c(cc(c1)CN)C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2323412
LogD (pH = 7.4)
-0.28980845
Log P
1.7551376
Molar Refractivity
39.789
Polarizability
15.105658
Polar Surface Area
26.02
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
No Data Available
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Molecule Details
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References
Bioactivity
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