Molecule

ID:22421

General Information
Structure
MolImage
Molecular Formula
C₆H₇FN₂
Molecular Mass
126.1315832
Exact Mass
126.05932645
Charge
0
InChI
InChI=1S/C6H7FN2/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3,(H2,8,9)
InChIKey
RKMOPXJNMQWPLH-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(c(c1)C)F
Isomeric Smiles
c1(cc(c(cn1)F)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0415915
LogD (pH = 7.4)
1.1752042
Log P
1.1772283
Molar Refractivity
34.1726
Polarizability
12.0328245
Polar Surface Area
38.91
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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