Name: product
SMILES:
Ic1ccc(OC2CN3CCC2CC3)cc1Molecular Processing
Molecular formula
C13H16INO
Molecular weight
329.18
Exact mass
329.0277
XLogP
2.76
TPSA
12.47
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
72.74
Supplementary Information
Details werden geladen…
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