Molecule

ID:134856

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈FN₃O
Molecular Mass
241.2205232
Exact Mass
241.06514011
Charge
0
InChI
InChI=1S/C13H8FN3O/c14-10-7-5-9(6-8-10)13(18)17-12-4-2-1-3-11(12)15-16-17/h1-8H
InChIKey
HQQCCQFFYVPHGB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)n1nnc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)nnn2C(=O)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6179674
LogD (pH = 7.4)
2.6179676
Log P
2.6179676
Molar Refractivity
64.2153
Polarizability
24.898039
Polar Surface Area
47.78
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
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Molecule Details
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References
Bioactivity
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