Molecule

ID:27947

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClFN₃OS
Molecular Mass
273.7143632
Exact Mass
273.01388882
Charge
0
InChI
InChI=1S/C10H9ClFN3OS/c1-15-9(13-14-10(15)17)5-16-6-2-3-8(12)7(11)4-6/h2-4H,5H2,1H3,(H,14,17)
InChIKey
HLDWJYHUIZOJFI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1Cl)OCc1nnc(n1C)S
Isomeric Smiles
n1(c(nnc1COc1cc(c(cc1)F)Cl)S)C
Calculated Properties
JChem
Acid pKa
6.78972
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.261251
LogD (pH = 7.4)
1.638357
Log P
2.2821722
Molar Refractivity
67.0328
Polarizability
24.894537
Polar Surface Area
39.94
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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