CCCCCCCCCCCCCCCCS(=O)(=O)OC1CN(C2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)C1
SMILES: CCCCCCCCCCCCCCCCS(=O)(=O)OC1CN(C2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)C1

Molecular Processing

Molecular formula
C46H85NO3S
Molecular weight
732.26
Exact mass
731.625
XLogP
12.99
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
23
Heavy atoms
51
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
1
Molar refractivity
217.4

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→