SMILES:
CC1CC(n2cnc3c(N)ncnc32)C1COMolecular Processing
Molecular formula
C11H15N5O
Molecular weight
233.27
Exact mass
233.1277
XLogP
0.6
TPSA
89.85
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
63.13
Supplementary Information
Récupération des détails…
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