SMILES:
COc1cccc(CCC#CC(O)CC2=C(C)CCC2=O)c1Molecular Processing
Molecular formula
C19H22O3
Molecular weight
298.38
Exact mass
298.1569
XLogP
3.06
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
86.66
Supplementary Information
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