Molecule

ID:10391

General Information
Structure
MolImage
Molecular Formula
C₇H₉FN₂
Molecular Mass
140.1581632
Exact Mass
140.07497652
Charge
0
InChI
InChI=1S/C7H9FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,4,9-10H2
InChIKey
KBIXYFABFIYSAU-UHFFFAOYSA-N
Canonic Smiles
NCc1c(N)cccc1F
Isomeric Smiles
c1ccc(c(c1F)CN)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.3568416
LogD (pH = 7.4)
-0.8175807
Log P
0.41279024
Molar Refractivity
39.4482
Polarizability
14.490833
Polar Surface Area
52.04
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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