SMILES:
COC=C1C(=O)NC(=O)c2cc(OC)c(Br)cc21Molecular Processing
Molecular formula
C12H10BrNO4
Molecular weight
312.12
Exact mass
310.9793
XLogP
1.72
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
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
0.167
Molar refractivity
68.15
Supplementary Information
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