SMILES:
O=C(NCC1(c2ncc(Br)cc2Cl)CC1)c1nccnc1C(F)(F)FMolecular Processing
Molecular formula
C15H11BrClF3N4O
Molecular weight
435.63
Exact mass
433.9757
XLogP
3.77
TPSA
67.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
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
0.333
Molar refractivity
87.23
Supplementary Information
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