Nombre: compound
SMILES:
Cc1cncc2cccc(N[C@H]3CC[C@@H](N)CC3)c12.ClMolecular Processing
Molecular formula
C16H22ClN3
Molecular weight
291.83
Exact mass
291.1502
XLogP
3.65
TPSA
50.94
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.438
Molar refractivity
87.58
Supplementary Information
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