Molecule

ID:123066

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆FN₃OS
Molecular Mass
247.2482432
Exact Mass
247.02156105
Charge
0
InChI
InChI=1S/C11H6FN3OS/c12-5-1-2-8-6(3-5)9-7(4-14-8)10(16)15-11(13)17-9/h1-4H,(H2,13,15,16)
InChIKey
SDCGNUYDFVHOAL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c1sc(N)nc(=O)c1cn2
Isomeric Smiles
n1c(=O)c2c(sc1N)c1c(nc2)ccc(c1)F
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5090945
LogD (pH = 7.4)
1.5091337
Log P
1.5091342
Molar Refractivity
62.6057
Polarizability
24.541307
Polar Surface Area
68.34
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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