Molecule

ID:43857

General Information
Structure
MolImage
Molecular Formula
C₉H₈FN₃S
Molecular Mass
209.2433232
Exact Mass
209.04229649
Charge
0
InChI
InChI=1S/C9H8FN3S/c1-5-2-3-6(4-7(5)10)8-12-9(11)14-13-8/h2-4H,1H3,(H2,11,12,13)
InChIKey
XJEDTOZNDHWOCQ-UHFFFAOYSA-N
Canonic Smiles
Nc1snc(n1)c1ccc(c(c1)F)C
Isomeric Smiles
n1c(nsc1N)c1cc(c(cc1)C)F
Calculated Properties
JChem
Acid pKa
14.289483
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0895872
LogD (pH = 7.4)
3.0897276
Log P
3.0897293
Molar Refractivity
65.9221
Polarizability
20.113434
Polar Surface Area
51.8
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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