SMILES:
CCOc1ccc(C#Cc2ccc(CCNC(=O)CC)cc2)cc1Molecular Processing
Molecular formula
C21H23NO2
Molecular weight
321.42
Exact mass
321.1729
XLogP
3.55
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
97.04
Supplementary Information
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