SMILES:
CCCCNC(=O)Cc1ccc2c(c1)C1OC1C(C)(C)O2Molecular Processing
Molecular formula
C17H23NO3
Molecular weight
289.38
Exact mass
289.1678
XLogP
2.76
TPSA
50.86
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
80.38
Supplementary Information
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