SMILES:
CCc1nc(I)c2n1CCNC2CCc1ccc(OC)c(F)c1Molecular Processing
Molecular formula
C17H21FIN3O
Molecular weight
429.28
Exact mass
429.0713
XLogP
3.47
TPSA
39.08
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
96.34
Supplementary Information
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