Nc1ccccc1N1CCCc2cc(Br)ccc21.O=C(O)/C=C\C(=O)O
SMILES: Nc1ccccc1N1CCCc2cc(Br)ccc21.O=C(O)/C=C\C(=O)O

Molecular Processing

Molecular formula
C19H19BrN2O4
Molecular weight
419.28
Exact mass
418.0528
XLogP
3.83
TPSA
103.86
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.158
Molar refractivity
104.74

Supplementary Information

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