SMILES:
Nc1scc(Br)c1-c1ncn[nH]1Molecular Processing
Molecular formula
C6H5BrN4S
Molecular weight
245.1
Exact mass
243.9418
XLogP
1.88
TPSA
67.59
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
51.81
Supplementary Information
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