SMILES:
CC(C)(C)c1ccc(CCC2CCCC2=O)c(C(C)(C)C)c1Molecular Processing
Molecular formula
C21H32O
Molecular weight
300.49
Exact mass
300.2453
XLogP
5.58
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
94.51
Supplementary Information
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