SMILES:
COc1ccc2c(c1)C(=O)N(CCCO)CCC2Molecular Processing
Molecular formula
C14H19NO3
Molecular weight
249.31
Exact mass
249.1365
XLogP
1.47
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
68.92
Supplementary Information
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