SMILES:
O=C1CC2Cc3cc(N4CCC(O)CC4)ccc3C2=NN1Molecular Processing
Molecular formula
C16H19N3O2
Molecular weight
285.35
Exact mass
285.1477
XLogP
1.04
TPSA
64.93
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
21
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
80.39
Supplementary Information
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