SMILES:
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C=O)cc21Molecular Processing
Molecular formula
C15H10BrClFN3O
Molecular weight
382.62
Exact mass
380.968
XLogP
4.68
TPSA
46.92
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
88.49
Supplementary Information
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