SMILES:
O=c1cc(N2CCN(Cc3cc(Br)cc(Br)c3O)CC2)nc[nH]1Molecular Processing
Molecular formula
C15H16Br2N4O2
Molecular weight
444.13
Exact mass
441.964
XLogP
2.32
TPSA
72.46
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
95.85
Supplementary Information
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