OCCN1CCN(c2cncc(-c3cnc4[nH]ccc4c3)n2)CC1
SMILES: OCCN1CCN(c2cncc(-c3cnc4[nH]ccc4c3)n2)CC1

Molecular Processing

Molecular formula
C17H20N6O
Molecular weight
324.39
Exact mass
324.1699
XLogP
1.13
TPSA
81.17
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
92.86

Supplementary Information

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