CCOC(=O)C1=C(c2ccc(OCCOc3cccc(F)c3Cl)cc2)CC2CN(C(C)=O)CC1N2C(=O)OC(C)(C)C(Cl)(Cl)Cl
Nom: bicyclononene
SMILES: CCOC(=O)C1=C(c2ccc(OCCOc3cccc(F)c3Cl)cc2)CC2CN(C(C)=O)CC1N2C(=O)OC(C)(C)C(Cl)(Cl)Cl

Molecular Processing

Molecular formula
C31H33Cl4FN2O7
Molecular weight
706.42
Exact mass
704.1026
XLogP
6.84
TPSA
94.61
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
45
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
169.53

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→