SMILES:
CN(C)CC1CC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(C(C)(C)C)cc2)C1OMolecular Processing
Molecular formula
C25H33NO3S
Molecular weight
427.61
Exact mass
427.2181
XLogP
4.24
TPSA
57.61
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
124.18
Supplementary Information
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