SMILES:
O=C(Nc1cccc(F)c1)N1CCN(Cc2ccc(Br)c(Br)c2)CC1Molecular Processing
Molecular formula
C18H18Br2FN3O
Molecular weight
471.17
Exact mass
468.9801
XLogP
4.7
TPSA
35.58
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
104.11
Supplementary Information
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