SMILES:
COc1ncccc1CN1CCC(CCc2sccc2S(C)(=O)=O)CC1Molecular Processing
Molecular formula
C19H26N2O3S2
Molecular weight
394.56
Exact mass
394.1385
XLogP
3.4
TPSA
59.5
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
104.54
Supplementary Information
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