SMILES:
COc1c(N)c(F)c(-c2ccccc2)c(Br)c1C#NMolecular Processing
Molecular formula
C14H10BrFN2O
Molecular weight
321.15
Exact mass
319.9961
XLogP
3.72
TPSA
59.04
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
75.22
Supplementary Information
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