SMILES:
Br.N=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1cccs1Molecular Processing
Molecular formula
C18H14BrN3O2S
Molecular weight
416.3
Exact mass
414.999
XLogP
5.12
TPSA
74.21
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0
Molar refractivity
106
Supplementary Information
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