SMILES:
Clc1ccc(C2(CBr)OCC(COc3ccc(Cl)c4ccccc34)O2)c(Cl)c1Molecular Processing
Molecular formula
C21H16BrCl3O3
Molecular weight
502.62
Exact mass
499.9348
XLogP
6.84
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
117.21
Supplementary Information
Obteniendo detalles…
Participa en 4 reacciones→