SMILES:
CCOC(=O)c1n[nH]c2c1ccc1cnc(SC)nc12Molecular Processing
Molecular formula
C13H12N4O2S
Molecular weight
288.33
Exact mass
288.0681
XLogP
2.4
TPSA
80.76
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
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
0.231
Molar refractivity
76.93
Supplementary Information
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