Nombre: (E)-5-(4-bromo-2-thienyl)-4-heptenoic acid
SMILES:
CC/C(=C\CCC(=O)O)c1cc(Br)cs1Molecular Processing
Molecular formula
C11H13BrO2S
Molecular weight
289.19
Exact mass
287.982
XLogP
4.17
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
67.16
Supplementary Information
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