SMILES:
COC(=O)c1cc(Br)sc1NC(=O)NC(=O)C(Cl)(Cl)ClMolecular Processing
Molecular formula
C9H6BrCl3N2O4S
Molecular weight
424.49
Exact mass
421.8297
XLogP
3.32
TPSA
84.5
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
80.81
Supplementary Information
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