SMILES:
FC1(F)CC1COc1cccc(Br)n1Molecular Processing
Molecular formula
C9H8BrF2NO
Molecular weight
264.07
Exact mass
262.9757
XLogP
2.88
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
50.49
Supplementary Information
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