Molecule

ID:14797

General Information
Structure
MolImage
Molecular Formula
C₉H₈FN₃S₂
Molecular Mass
241.3083232
Exact Mass
241.01436749
Charge
0
InChI
InChI=1S/C9H8FN3S2/c10-7-4-2-1-3-6(7)5-14-9-13-12-8(11)15-9/h1-4H,5H2,(H2,11,12)
InChIKey
IDUVACIKPBPMOZ-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc(s1)SCc1ccccc1F
Isomeric Smiles
c1(CSc2sc(nn2)N)c(cccc1)F
Calculated Properties
JChem
Acid pKa
14.472416
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6794784
LogD (pH = 7.4)
2.67948
Log P
2.67948
Molar Refractivity
62.6733
Polarizability
22.62505
Polar Surface Area
51.8
Rotatable Bonds
3
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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