SMILES:
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21Molecular Processing
Molecular formula
C17H15BrClFN4O3
Molecular weight
457.69
Exact mass
456
XLogP
3.53
TPSA
88.41
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
103.61
Supplementary Information
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