SMILES:
CCCCC12Cc3cc(O)ccc3C1=C(C)C(=O)C(C)(C)C2Molecular Processing
Molecular formula
C20H26O2
Molecular weight
298.43
Exact mass
298.1933
XLogP
4.9
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
89.77
Supplementary Information
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