الاسم: 3-{[2-(acetylamino)ethylthio]methyl}-4-oxo-4-(3-pyridyl)butanoic acid
SMILES:
CC(=O)NCCSCC(CC(=O)O)C(=O)c1cccnc1Molecular Processing
Molecular formula
C14H18N2O4S
Molecular weight
310.38
Exact mass
310.0987
XLogP
1.22
TPSA
96.36
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
80.32
Supplementary Information
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