SMILES:
Cn1nc(C(=O)NOCC2CC2)c(Nc2ccc(Br)cc2F)c(Br)c1=OMolecular Processing
Molecular formula
C16H15Br2FN4O3
Molecular weight
490.13
Exact mass
487.9495
XLogP
3.26
TPSA
85.25
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
100.7
Supplementary Information
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