SMILES:
COC(=O)CCCn1cc(C(=O)CC(c2ccc(Br)cc2)c2ccccc2C)ccc1=OMolecular Processing
Molecular formula
C26H26BrNO4
Molecular weight
496.4
Exact mass
495.1045
XLogP
5.28
TPSA
65.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
32
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
0.269
Molar refractivity
128.06
Supplementary Information
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