SMILES:
CCNC(C)(C#N)COc1ccc(Cl)cc1Molecular Processing
Molecular formula
C12H15ClN2O
Molecular weight
238.72
Exact mass
238.0873
XLogP
2.61
TPSA
45.05
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
64.64
Supplementary Information
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