Molecule

ID:124270

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀FN
Molecular Mass
139.1701032
Exact Mass
139.07972755
Charge
0
InChI
InChI=1S/C8H10FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
InChIKey
AUCVZEYHEFAWHO-UHFFFAOYSA-N
Canonic Smiles
NCCc1cccc(c1)F
Isomeric Smiles
c1c(F)cccc1CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.477131
LogD (pH = 7.4)
-0.73905075
Log P
1.5303774
Molar Refractivity
39.5028
Polarizability
15.10724
Polar Surface Area
26.02
Rotatable Bonds
2
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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