SMILES:
C=CCSC(=N)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Br)c(N)c1S(C)=OMolecular Processing
Molecular formula
C15H13BrClF3N4OS2
Molecular weight
501.78
Exact mass
499.9355
XLogP
4.87
TPSA
84.76
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
107.5
Supplementary Information
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