SMILES:
C=CCC1CCC(=O)CC1c1ccc(C(C)(C)CCCCCC)cc1OCc1ccccc1Molecular Processing
Molecular formula
C31H42O2
Molecular weight
446.68
Exact mass
446.3185
XLogP
8.54
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
12
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.516
Molar refractivity
138.9
Supplementary Information
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