COC(=O)COc1ccc(OCC#Cc2cc(Br)cc(C#CCN3CCOCC3)c2)cc1C
SMILES: COC(=O)COc1ccc(OCC#Cc2cc(Br)cc(C#CCN3CCOCC3)c2)cc1C

Molecular Processing

Molecular formula
C26H26BrNO5
Molecular weight
512.4
Exact mass
511.0994
XLogP
3.42
TPSA
57.23
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
129.34

Supplementary Information

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