Molecule

ID:68162

General Information
Structure
MolImage
Molecular Formula
C₆H₇FN₂
Molecular Mass
126.1315832
Exact Mass
126.05932645
Charge
0
InChI
InChI=1S/C6H7FN2/c7-6-5(4-8)2-1-3-9-6/h1-3H,4,8H2
InChIKey
ORBSSWJRHPFEBR-UHFFFAOYSA-N
Canonic Smiles
NCc1cccnc1F
Isomeric Smiles
c1(c(cccn1)CN)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3870294
LogD (pH = 7.4)
-0.8888009
Log P
0.41797444
Molar Refractivity
33.6056
Polarizability
12.466704
Polar Surface Area
38.91
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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