Molecule

ID:118288

General Information
Structure
MolImage
Molecular Formula
C₇H₇FN₂
Molecular Mass
138.1422832
Exact Mass
138.05932645
Charge
0
InChI
InChI=1S/C7H7FN2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H3,9,10)
InChIKey
HIEHSPCNXRHNRG-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccccc1F
Isomeric Smiles
c1(C(=N)N)c(F)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.3678783
LogD (pH = 7.4)
-0.8944207
Log P
1.0364162
Molar Refractivity
47.9469
Polarizability
13.693048
Polar Surface Area
49.87
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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