SMILES:
CCSc1nc2c(C(=O)OC)sc(-c3ccccc3)c2[nH]1Molecular Processing
Molecular formula
C15H14N2O2S2
Molecular weight
318.42
Exact mass
318.0497
XLogP
4.19
TPSA
54.98
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
87.14
Supplementary Information
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