Nom: cholesterol ethylenediamine 2,2′-dipyridyldisulfide
SMILES:
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.NCCN.c1ccc(SSc2ccccn2)nc1Molecular Processing
Molecular formula
C39H62N4OS2
Molecular weight
667.09
Exact mass
666.4365
XLogP
9.57
TPSA
98.05
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
46
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
3
Fraction Csp3
0.692
Molar refractivity
197.35
Supplementary Information
Récupération des détails…
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