SMILES:
CCCCCC(C)=CCCC(CCCCCCC(=O)OCC)C(N)=OMolecular Processing
Molecular formula
C21H39NO3
Molecular weight
353.55
Exact mass
353.293
XLogP
5.3
TPSA
69.39
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
16
Heavy atoms
25
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.81
Molar refractivity
104.15
Supplementary Information
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