SMILES:
CC12CC(c3ccc(OCCCCI)cc3)C3c4ccc(O)cc4CCC3C1CCC2OMolecular Processing
Molecular formula
C28H35IO3
Molecular weight
546.49
Exact mass
546.1631
XLogP
6.6
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
136.91
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→