SMILES:
O=C(CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)NC1CC1Molecular Processing
Molecular formula
C16H16BrN3O3
Molecular weight
378.23
Exact mass
377.0375
XLogP
1.61
TPSA
83.96
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
89.67
Supplementary Information
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