SMILES:
C#CCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1IMolecular Processing
Molecular formula
C16H17IN4O2
Molecular weight
424.24
Exact mass
424.0396
XLogP
3.17
TPSA
96.28
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
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
0.25
Molar refractivity
98.51
Supplementary Information
Details werden geladen…
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