SMILES:
CCOC(=O)c1cc(Cl)c(N)c(Br)c1Molecular Processing
Molecular formula
C9H9BrClNO2
Molecular weight
278.53
Exact mass
276.9505
XLogP
2.86
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
59.52
Supplementary Information
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