Molecule

ID:98007

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀FN
Molecular Mass
139.1701032
Exact Mass
139.07972755
Charge
0
InChI
InChI=1S/C8H10FN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKey
DUMMWWNKDSKGRZ-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccccc1F)C
Isomeric Smiles
N(c1ccccc1F)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2239792
LogD (pH = 7.4)
2.2239914
Log P
2.2239916
Molar Refractivity
40.703
Polarizability
14.803018
Polar Surface Area
3.24
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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