SMILES:
COc1ccc(CSC2CC3C(=O)N(C)CC[N+]3(C)C2)cc1Molecular Processing
Molecular formula
C17H25N2O2S+
Molecular weight
321.47
Exact mass
321.1631
XLogP
1.99
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
90.04
Supplementary Information
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