SMILES:
COc1cc(Cl)ccc1N1CCN(C)CC1Molecular Processing
Molecular formula
C12H17ClN2O
Molecular weight
240.73
Exact mass
240.1029
XLogP
2.1
TPSA
15.71
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
67.71
Supplementary Information
Récupération des détails…
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