SMILES:
CC(=O)Oc1c(C(C)(C)C)cc2c(c1C(C)(C)C)CC(C)(CI)O2Molecular Processing
Molecular formula
C20H29IO3
Molecular weight
444.35
Exact mass
444.1161
XLogP
5.34
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
106.78
Supplementary Information
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