SMILES:
Cc1nc(N)nc(NC2CCOC2)c1IMolecular Processing
Molecular formula
C9H13IN4O
Molecular weight
320.13
Exact mass
320.0134
XLogP
1.17
TPSA
73.06
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
66.75
Supplementary Information
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