الاسم: 4-(2-Benzoylpyrrol-1-yl)-2-iodobutyric acid methyl ester
SMILES:
COC(=O)C(I)CCn1cccc1C(=O)c1ccccc1Molecular Processing
Molecular formula
C16H16INO3
Molecular weight
397.21
Exact mass
397.0175
XLogP
3.09
TPSA
48.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
88.75
Supplementary Information
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