SMILES:
CCC1CC(=NOCC2CC2)CC1c1nnc2cnc3[nH]ccc3n12Molecular Processing
Molecular formula
C18H22N6O
Molecular weight
338.42
Exact mass
338.1855
XLogP
3.29
TPSA
80.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
25
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
94.51
Supplementary Information
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