CC12CCC(=O)C=C1CCC1C2=CCC2(C)C1CCC2(O)C(=O)CBr
SMILES: CC12CCC(=O)C=C1CCC1C2=CCC2(C)C1CCC2(O)C(=O)CBr

Molecular Processing

Molecular formula
C21H27BrO3
Molecular weight
407.35
Exact mass
406.1144
XLogP
4.13
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
100.44

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→