SMILES:
CC(C)(C)OC(=O)N1CCC(CNc2cc(Br)ncc2[N+](=O)[O-])CC1Molecular Processing
Molecular formula
C16H23BrN4O4
Molecular weight
415.29
Exact mass
414.0903
XLogP
3.81
TPSA
97.6
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
97.61
Supplementary Information
Récupération des détails…
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