SMILES:
Cc1cncc2cccc(NC3CCN(CCO)CC3)c12.ClMolecular Processing
Molecular formula
C17H24ClN3O
Molecular weight
321.85
Exact mass
321.1608
XLogP
2.83
TPSA
48.39
H-bond donors
2
H-bond acceptors
4
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
2
Fraction Csp3
0.471
Molar refractivity
93.9
Supplementary Information
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