SMILES:
Br.Clc1ccc(C2(C3=CSC4=NCCN34)CCC2)cc1ClMolecular Processing
Molecular formula
C15H15BrCl2N2S
Molecular weight
406.18
Exact mass
403.9516
XLogP
5.25
TPSA
15.6
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.4
Molar refractivity
97
Supplementary Information
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Involved in 1 reactions→