SMILES:
CCC(=O)OCC12CCCC=C1CCC1C2CCC2(C)C(OC(=O)CC)CCC12Molecular Processing
Molecular formula
C25H38O4
Molecular weight
402.58
Exact mass
402.277
XLogP
5.59
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.84
Molar refractivity
112.07
Supplementary Information
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