SMILES:
COC(=O)C(=Cc1ccc(OC)c(Br)c1)N=[N+]=[N-]Molecular Processing
Molecular formula
C11H10BrN3O3
Molecular weight
312.12
Exact mass
310.9906
XLogP
3.28
TPSA
84.29
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
69.83
Supplementary Information
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