Br.N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2cccs2)n1
Name: (S)-2-(4-nitrophenyl)-1-[(2-thiophen-2-yl)thiazol-4-yl)ethan-amine hydrobromide salt
SMILES: Br.N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2cccs2)n1

Molecular Processing

Molecular formula
C15H14BrN3O2S2
Molecular weight
412.33
Exact mass
410.9711
XLogP
4.6
TPSA
82.05
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.133
Molar refractivity
99.48

Supplementary Information

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