SMILES:
CCCCOCc1ccc(CO)cc1Molecular Processing
Molecular formula
C12H18O2
Molecular weight
194.27
Exact mass
194.1307
XLogP
2.5
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
56.93
Supplementary Information
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