Molecule

ID:97851

General Information
Structure
MolImage
Molecular Formula
C₆H₄FN₃
Molecular Mass
137.1144632
Exact Mass
137.03892536
Charge
0
InChI
InChI=1S/C6H4FN3/c7-5-1-4(9)3-10-6(5)2-8/h1,3H,9H2
InChIKey
BDXBWOYRUFHMKG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncc(cc1F)N
Isomeric Smiles
n1c(c(cc(c1)N)F)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.31129563
LogD (pH = 7.4)
0.3112959
Log P
0.3112959
Molar Refractivity
34.1675
Polarizability
12.15612
Polar Surface Area
62.7
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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