SMILES:
CC(C)(C)OC(=O)N1CCC(CNc2cc(Cl)ncc2I)CC1Molecular Processing
Molecular formula
C16H23ClIN3O2
Molecular weight
451.74
Exact mass
451.0524
XLogP
4.4
TPSA
54.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
100.98
Supplementary Information
Details werden geladen…
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