SMILES:
C[C@H](Nc1nc(Cl)cc(-c2ccccn2)n1)c1ccc(F)cc1Molecular Processing
Molecular formula
C17H14ClFN4
Molecular weight
328.78
Exact mass
328.0891
XLogP
4.5
TPSA
50.7
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
88.71
Supplementary Information
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