Nom: product
SMILES:
COC(=O)c1cn(CC2CC2)c(=O)c2ccc(Br)cc12Molecular Processing
Molecular formula
C15H14BrNO3
Molecular weight
336.19
Exact mass
335.0157
XLogP
2.96
TPSA
48.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
79.97
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→