SMILES:
O=CNCc1ccc(CN2CCN(c3ncccn3)CC2)cc1Molecular Processing
Molecular formula
C17H21N5O
Molecular weight
311.39
Exact mass
311.1746
XLogP
1.04
TPSA
61.36
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
88.87
Supplementary Information
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