SMILES:
CC1(C)SC2C(Br)C(=O)N2C1C#NMolecular Processing
Molecular formula
C8H9BrN2OS
Molecular weight
261.14
Exact mass
259.9619
XLogP
1.34
TPSA
44.1
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
54.42
Supplementary Information
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