Molecule

ID:97374

General Information
Structure
MolImage
Molecular Formula
C₁₅H₅F₅N₂O₂S
Molecular Mass
372.269416
Exact Mass
371.99918951
Charge
0
InChI
InChI=1S/C15H5F5N2O2S/c16-8-9(17)11(19)13(12(20)10(8)18)24-15(23)7-5-25-14(22-7)6-2-1-3-21-4-6/h1-5H
InChIKey
LHRLGPDYSCUADI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1csc(n1)c1cccnc1)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
Fc1c(c(c(c(c1F)OC(=O)c1csc(n1)c1cccnc1)F)F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.988212
LogD (pH = 7.4)
3.9997818
Log P
3.9999318
Molar Refractivity
86.724
Polarizability
28.61682
Polar Surface Area
52.08
Rotatable Bonds
4
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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