SMILES:
C#Cc1cc(C(=O)OC)cc(C(=O)N(CCC)CCC)c1Molecular Processing
Molecular formula
C17H21NO3
Molecular weight
287.36
Exact mass
287.1521
XLogP
2.72
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
82.2
Supplementary Information
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