이름: 7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-on
SMILES:
O=C1C(Br)CC2(CC1c1ccc(F)cc1)OCCO2Molecular Processing
Molecular formula
C14H14BrFO3
Molecular weight
329.17
Exact mass
328.011
XLogP
2.78
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
70.73
Supplementary Information
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