SMILES:
COC(=O)CCn1cc(C(=O)CC(c2ccc(Br)cc2)c2ccccc2C)ccc1=OMolecular Processing
Molecular formula
C25H24BrNO4
Molecular weight
482.37
Exact mass
481.0889
XLogP
4.89
TPSA
65.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
123.45
Supplementary Information
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