Cc1noc(NS(=O)(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)s2)c1Br
Name: N-(4-bromo-3-methyl-5-isoxazolyl)-5-(3-nitrophenyl)thiophene-2-sulfonamide
SMILES: Cc1noc(NS(=O)(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)s2)c1Br

Molecular Processing

Molecular formula
C14H10BrN3O5S2
Molecular weight
444.29
Exact mass
442.9245
XLogP
4.18
TPSA
115.34
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
96.16

Supplementary Information

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