SMILES:
CCOC(=O)c1sc2cc([N+](=O)[O-])ccc2c1BrMolecular Processing
Molecular formula
C11H8BrNO4S
Molecular weight
330.16
Exact mass
328.9357
XLogP
3.75
TPSA
69.44
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
72.14
Supplementary Information
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