SMILES:
C=CC(OC(=O)C1C(C(Br)C(Cl)(Cl)Br)C1(C)C)c1cccc(Oc2ccccc2)c1Molecular Processing
Molecular formula
C23H22Br2Cl2O3
Molecular weight
577.14
Exact mass
573.9313
XLogP
7.81
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
128.83
Supplementary Information
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