CCOC(=O)c1cn(C2CC2)c2c(Br)c(F)c(F)cc2c1=O
SMILES: CCOC(=O)c1cn(C2CC2)c2c(Br)c(F)c(F)cc2c1=O

Molecular Processing

Molecular formula
C15H12BrF2NO3
Molecular weight
372.17
Exact mass
370.9969
XLogP
3.55
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
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
80.05

Supplementary Information

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