SMILES:
Cn1c(Nc2ccc(Br)cc2F)c(C(=O)NOCC2CC2)ccc1=OMolecular Processing
Molecular formula
C17H17BrFN3O3
Molecular weight
410.24
Exact mass
409.0437
XLogP
3.1
TPSA
72.36
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
95.21
Supplementary Information
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