SMILES:
Br.Cc1sc(=N)n(CC2CCCCO2)c1CMolecular Processing
Molecular formula
C11H19BrN2OS
Molecular weight
307.26
Exact mass
306.0401
XLogP
2.79
TPSA
38.01
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.727
Molar refractivity
71.55
Supplementary Information
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