SMILES:
O=C1NCC(Br)=Cc2c1[nH]c(Br)c2BrMolecular Processing
Molecular formula
C8H5Br3N2O
Molecular weight
384.85
Exact mass
381.7952
XLogP
3.02
TPSA
44.89
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
65.43
Supplementary Information
Récupération des détails…
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