Name: [(2-phenylethyl)thio]propanedioic acid
SMILES:
O=C(O)C(SCCc1ccccc1)C(=O)OMolecular Processing
Molecular formula
C11H12O4S
Molecular weight
240.28
Exact mass
240.0456
XLogP
1.5
TPSA
74.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
61.66
Supplementary Information
Details werden geladen…
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