SMILES:
COc1ccc2nccc(CCC3(O)CCC(N)CC3)c2n1Molecular Processing
Molecular formula
C17H23N3O2
Molecular weight
301.39
Exact mass
301.179
XLogP
2.2
TPSA
81.26
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
85.8
Supplementary Information
Obteniendo detalles…
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