SMILES:
CCOC(=O)c1c(Nc2cc(F)ccc2[N+](=O)[O-])sc2cc(Br)ccc12Molecular Processing
Molecular formula
C17H12BrFN2O4S
Molecular weight
439.26
Exact mass
437.9685
XLogP
5.63
TPSA
81.47
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
101.82
Supplementary Information
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