名称: Compound 11a
SMILES:
O=C(O)CCCSSc1ccccn1Molecular Processing
Molecular formula
C9H11NO2S2
Molecular weight
229.33
Exact mass
229.0231
XLogP
2.69
TPSA
50.19
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
14
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
0.333
Molar refractivity
59.42
Supplementary Information
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