CC(=C(F)C=O)c1cc2c(c(Br)c1OC(C)C)C(C)(C)CC=C2C(C)C
SMILES: CC(=C(F)C=O)c1cc2c(c(Br)c1OC(C)C)C(C)(C)CC=C2C(C)C

Molecular Processing

Molecular formula
C22H28BrFO2
Molecular weight
423.37
Exact mass
422.1257
XLogP
6.86
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
110.13

Supplementary Information

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