이름: (E)-3-[1-(toluene-4-sulfonyl)-1H-pyrrol-3yl]-acrylic acid tert-butyl ester
SMILES:
Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)OC(C)(C)C)c2)cc1Molecular Processing
Molecular formula
C18H21NO4S
Molecular weight
347.44
Exact mass
347.1191
XLogP
3.39
TPSA
65.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
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
0.278
Molar refractivity
93.07
Supplementary Information
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