SMILES:
Cn1c(N[C@@H]2CCC[C@H]2O)nc2ncn(Cc3ccccc3)c2c1=OMolecular Processing
Molecular formula
C18H21N5O2
Molecular weight
339.4
Exact mass
339.1695
XLogP
1.5
TPSA
84.97
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
95.58
Supplementary Information
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