SMILES:
COC(=O)CCCn1c(-c2cccc(F)c2)nc2c(N)nc(I)nc21Molecular Processing
Molecular formula
C16H15FIN5O2
Molecular weight
455.23
Exact mass
455.0255
XLogP
2.77
TPSA
95.92
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
99.1
Supplementary Information
Récupération des détails…
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