CCOC(=O)c1cn(C2CC2)c2cc(Br)c(F)c(C)c2c1=O
SMILES: CCOC(=O)c1cn(C2CC2)c2cc(Br)c(F)c(C)c2c1=O

Molecular Processing

Molecular formula
C16H15BrFNO3
Molecular weight
368.2
Exact mass
367.0219
XLogP
3.72
TPSA
48.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
84.83

Supplementary Information

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