SMILES:
CN1CCN(C(=O)c2c(Br)c(Br)c([N+](=O)[O-])c3c2OCCO3)CC1Molecular Processing
Molecular formula
C14H15Br2N3O5
Molecular weight
465.1
Exact mass
462.9378
XLogP
2.28
TPSA
85.15
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
92.89
Supplementary Information
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