SMILES:
CCC(=O)NCCCSc1ccncc1Molecular Processing
Molecular formula
C11H16N2OS
Molecular weight
224.33
Exact mass
224.0983
XLogP
2.09
TPSA
41.99
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
62.88
Supplementary Information
Details werden geladen…
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