Name: product
SMILES:
Cl.Nc1c([N+](=O)[O-])cc(Br)c2c1CNCC2Molecular Processing
Molecular formula
C9H11BrClN3O2
Molecular weight
308.56
Exact mass
306.9723
XLogP
2.01
TPSA
81.19
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
67.87
Supplementary Information
Details werden geladen…
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