SMILES:
CC(O)c1ccc2c(c1)OCCCC2Molecular Processing
Molecular formula
C12H16O2
Molecular weight
192.26
Exact mass
192.115
XLogP
2.46
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
55.51
Supplementary Information
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