SMILES:
O=C(O)C1CSC(c2cccnc2)N1Molecular Processing
Molecular formula
C9H10N2O2S
Molecular weight
210.26
Exact mass
210.0463
XLogP
0.87
TPSA
62.22
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
54
Supplementary Information
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