CCCCC(C)(C)C(/C=C/I)OC(c1ccccc1)(c1ccccc1)c1ccccc1
SMILES: CCCCC(C)(C)C(/C=C/I)OC(c1ccccc1)(c1ccccc1)c1ccccc1

Molecular Processing

Molecular formula
C29H33IO
Molecular weight
524.49
Exact mass
524.1576
XLogP
8.53
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
10
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
140.55

Supplementary Information

Details werden geladen…

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