SMILES:
CC(C)(C)OC(=O)N1CCC(SCc2ncccc2S)C1Molecular Processing
Molecular formula
C15H22N2O2S2
Molecular weight
326.49
Exact mass
326.1123
XLogP
3.61
TPSA
42.43
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
89
Supplementary Information
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