SMILES:
COc1ccccc1C1(O)CC(CC#N)CC2CNCC21Molecular Processing
Molecular formula
C17H22N2O2
Molecular weight
286.37
Exact mass
286.1681
XLogP
2.04
TPSA
65.28
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
79.69
Supplementary Information
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