SMILES:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCCCCI)CCC4(C)C3CCC12CMolecular Processing
Molecular formula
C33H57IO
Molecular weight
596.72
Exact mass
596.3454
XLogP
10.41
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
12
Heavy atoms
35
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.939
Molar refractivity
160.14
Supplementary Information
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