OC1(c2cccc(F)c2F)CCC=CCC1
SMILES: OC1(c2cccc(F)c2F)CCC=CCC1

Molecular Processing

Molecular formula
C13H14F2O
Molecular weight
224.25
Exact mass
224.1013
XLogP
3.28
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
57.86

Supplementary Information

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