SMILES:
CCNc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1Molecular Processing
Molecular formula
C16H21IN4O2
Molecular weight
428.27
Exact mass
428.0709
XLogP
4.02
TPSA
82.29
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
100.48
Supplementary Information
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