Name: iodo
SMILES:
CCCCCCCc1c(C)nc(C)c(I)c1OCc1ccccc1Molecular Processing
Molecular formula
C21H28INO
Molecular weight
437.37
Exact mass
437.1216
XLogP
6.39
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
109.67
Supplementary Information
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