SMILES:
Cn1cccc1CCNCC(O)COc1cccc2[nH]ccc12Molecular Processing
Molecular formula
C18H23N3O2
Molecular weight
313.4
Exact mass
313.179
XLogP
2.08
TPSA
62.21
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
91.79
Supplementary Information
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