Molecule

ID:18666

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrFN₂OS
Molecular Mass
305.1666032
Exact Mass
303.96812417
Charge
0
InChI
InChI=1S/C10H9FN2OS.BrH/c1-14-9-3-2-6(4-7(9)11)8-5-15-10(12)13-8;/h2-5H,1H3,(H2,12,13);1H
InChIKey
GICLAIFEPWGMLI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1F)c1csc(n1)N.Br
Isomeric Smiles
c1(nc(sc1)N)c1ccc(c(c1)F)OC.Br
Calculated Properties
JChem
Acid pKa
16.70059
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.490122
LogD (pH = 7.4)
2.5052722
Log P
2.505469
Molar Refractivity
56.8839
Polarizability
22.369717
Polar Surface Area
48.14
Rotatable Bonds
2
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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