SMILES:
CCCc1cc(CBr)cc(Cl)c1OC(C(=O)OC)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C20H20BrClO5
Molecular weight
455.73
Exact mass
454.0183
XLogP
5.21
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
106.03
Supplementary Information
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