SMILES:
N#Cc1ccccc1-c1ccc(CBr)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C14H9BrN2O2
Molecular weight
317.14
Exact mass
315.9847
XLogP
4.03
TPSA
66.93
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
75.88
Supplementary Information
Details werden geladen…
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