Name: methyl 5-bromo-1-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrole-2-carboxylate
SMILES:
COC(=O)c1ccc(Br)n1CC(=O)c1ccc(OC)cc1Molecular Processing
Molecular formula
C15H14BrNO4
Molecular weight
352.18
Exact mass
351.0106
XLogP
2.93
TPSA
57.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
80.8
Supplementary Information
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