SMILES:
O=C(O)CCCOc1cccc(CN2CCCCC2)c1Molecular Processing
Molecular formula
C16H23NO3
Molecular weight
277.36
Exact mass
277.1678
XLogP
2.92
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
20
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
0.562
Molar refractivity
77.93
Supplementary Information
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