SMILES:
Cn1c(Nc2ccc(Br)cc2F)c(C(=O)NOCCO)ccc1=OMolecular Processing
Molecular formula
C15H15BrFN3O4
Molecular weight
400.2
Exact mass
399.023
XLogP
1.68
TPSA
92.59
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
89.57
Supplementary Information
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