Molecule

ID:95148

General Information
Structure
MolImage
Molecular Formula
C₇H₅FN₂
Molecular Mass
136.1264032
Exact Mass
136.04367639
Charge
0
InChI
InChI=1S/C7H5FN2/c1-5-2-6(3-9)4-10-7(5)8/h2,4H,1H3
InChIKey
ODAVABJWORVQDH-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnc(c(c1)C)F
Isomeric Smiles
n1c(c(cc(c1)C#N)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6617236
LogD (pH = 7.4)
1.6617236
Log P
1.6617236
Molar Refractivity
35.895
Polarizability
12.73072
Polar Surface Area
36.68
Rotatable Bonds
0
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
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References
Bioactivity
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