COc1cc(C#C[Se]c2ccc3c(c2)C(C)(C)CC=C3c2ccc(C)cc2)ccc1C(=O)O
SMILES: COc1cc(C#C[Se]c2ccc3c(c2)C(C)(C)CC=C3c2ccc(C)cc2)ccc1C(=O)O

Molecular Processing

Molecular formula
C29H26O3Se
Molecular weight
501.48
Exact mass
502.1047
XLogP
5.15
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
134.56

Supplementary Information

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