SMILES:
CCCCCC1CCC(CCc2ccc(C3CCC(C(=O)OC)CC3)cc2)CC1Molecular Processing
Molecular formula
C27H42O2
Molecular weight
398.63
Exact mass
398.3185
XLogP
7.45
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.741
Molar refractivity
121.07
Supplementary Information
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