SMILES:
Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(CBr)c(Cl)c1Molecular Processing
Molecular formula
C16H11BrCl2FN3
Molecular weight
415.09
Exact mass
412.9497
XLogP
5.49
TPSA
30.71
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
23
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
0.125
Molar refractivity
94.48
Supplementary Information
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