Molecule

ID:96149

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀FN
Molecular Mass
139.1701032
Exact Mass
139.07972755
Charge
0
InChI
InChI=1S/C8H10FN/c1-2-10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
InChIKey
QNSZDXLOSMUCPQ-UHFFFAOYSA-N
Canonic Smiles
CCNc1ccccc1F
Isomeric Smiles
N(c1c(cccc1)F)CC
Calculated Properties
JChem
Acid pKa
18.58412
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9420857
LogD (pH = 7.4)
1.9454902
Log P
1.9455339
Molar Refractivity
41.2168
Polarizability
14.803614
Polar Surface Area
12.03
Rotatable Bonds
2
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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