Nom: 2-iodo-7-methoxy-3-phenyl-4-(4-pivaloyloxyphenyl)-1,2,3,4-tetrahydronaphthalene
SMILES:
COc1ccc2c(c1)CC(I)C(c1ccccc1)C2c1ccc(OC(=O)C(C)(C)C)cc1Molecular Processing
Molecular formula
C28H29IO3
Molecular weight
540.44
Exact mass
540.1161
XLogP
6.92
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
137.06
Supplementary Information
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