SMILES:
CCN(CC)CCOc1ccc([N+](=O)[O-])cc1BrMolecular Processing
Molecular formula
C12H17BrN2O3
Molecular weight
317.18
Exact mass
316.0423
XLogP
3.08
TPSA
55.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
74.08
Supplementary Information
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