SMILES:
NCC1CCN(c2nc3ccccc3o2)CC1Molecular Processing
Molecular formula
C13H17N3O
Molecular weight
231.3
Exact mass
231.1372
XLogP
2
TPSA
55.29
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
68
Supplementary Information
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