SMILES:
CCC(C)(C)c1cc(C(C)(C)CC)c(O)c(C(C)(C)CC)c1Molecular Processing
Molecular formula
C21H36O
Molecular weight
304.52
Exact mass
304.2766
XLogP
6.46
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
98.06
Supplementary Information
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