SMILES:
CCC(CC)(CC)OC(=O)CC(C)(O)CCCC1CC2C=CC1C2Molecular Processing
Molecular formula
C21H36O3
Molecular weight
336.52
Exact mass
336.2664
XLogP
5.02
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
24
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
97.63
Supplementary Information
Récupération des détails…
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