SMILES:
O=Cc1cccc(OC2CCCCO2)c1Molecular Processing
Molecular formula
C12H14O3
Molecular weight
206.24
Exact mass
206.0943
XLogP
2.4
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
56.05
Supplementary Information
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