SMILES:
CN1CCN(c2cc([N+](=O)[O-])ccc2Br)CC1Molecular Processing
Molecular formula
C11H14BrN3O2
Molecular weight
300.16
Exact mass
299.0269
XLogP
2.11
TPSA
49.62
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
70.51
Supplementary Information
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