SMILES:
C=COC(=O)n1c(SCc2ccc(C)cn2)nc2cscc21Molecular Processing
Molecular formula
C15H13N3O2S2
Molecular weight
331.42
Exact mass
331.0449
XLogP
4.22
TPSA
57.01
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
88.22
Supplementary Information
Details werden geladen…
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