SMILES:
O=C1N=C(NC2CC3CCC2C3)SC1CCBrMolecular Processing
Molecular formula
C12H17BrN2OS
Molecular weight
317.25
Exact mass
316.0245
XLogP
2.55
TPSA
41.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
74.6
Supplementary Information
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