CC(=O)SCC(CCC(=O)C(C)C)C(=O)O
이름: 2-(acetylsulfanylmethyl)-6-methyl-5-oxoheptanoic acid
SMILES: CC(=O)SCC(CCC(=O)C(C)C)C(=O)O

Molecular Processing

Molecular formula
C11H18O4S
Molecular weight
246.33
Exact mass
246.0926
XLogP
1.97
TPSA
71.44
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
16
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
63.34

Supplementary Information

InChIKey: ANQGFKXILAKHSZ-UHFFFAOYSA-N
동의어
SCHEMBL11433451ANQGFKXILAKHSZ-UHFFFAOYSA-N2-acetylthiomethyl-5-oxo-6-methylheptanoic acid
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