SMILES:
CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(Br)CC12CMolecular Processing
Molecular formula
C23H28BrFO4
Molecular weight
467.38
Exact mass
466.1155
XLogP
4.65
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.696
Molar refractivity
110.26
Supplementary Information
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