SMILES:
COc1cc(OC)cc(C2CCCCC2O)c1Molecular Processing
Molecular formula
C14H20O3
Molecular weight
236.31
Exact mass
236.1412
XLogP
2.72
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
66.76
Supplementary Information
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