SMILES:
CSc1nc(C)c2cc(Br)c(=O)[nH]c2n1Molecular Processing
Molecular formula
C9H8BrN3OS
Molecular weight
286.15
Exact mass
284.9571
XLogP
2.11
TPSA
58.64
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
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
0.222
Molar refractivity
64.38
Supplementary Information
Details werden geladen…
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