SMILES:
O=C(O)c1nc2c(s1)CCOc1cc(-c3cn[nH]c3)ccc1-2Molecular Processing
Molecular formula
C15H11N3O3S
Molecular weight
313.34
Exact mass
313.0521
XLogP
2.83
TPSA
88.1
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
81.29
Supplementary Information
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