CC(C)CNCCCNCCCNCc1cccc(-c2cc(CNCCCNCCCNCC(C)C)cc(CNCCCNCCCNCC(C)C)c2)c1.Cl
SMILES: CC(C)CNCCCNCCCNCc1cccc(-c2cc(CNCCCNCCCNCC(C)C)cc(CNCCCNCCCNCC(C)C)c2)c1.Cl

Molecular Processing

Molecular formula
C45H86ClN9
Molecular weight
788.7
Exact mass
787.6695
XLogP
5.89
TPSA
108.27
H-bond donors
9
H-bond acceptors
9
Rotatable bonds
37
Heavy atoms
55
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.733
Molar refractivity
243.68

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→