CCOC(=O)c1cnc(SC)[nH]c1=O
SMILES: CCOC(=O)c1cnc(SC)[nH]c1=O

Molecular Processing

Molecular formula
C8H10N2O3S
Molecular weight
214.25
Exact mass
214.0412
XLogP
0.67
TPSA
72.05
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
52.6

Supplementary Information

Details werden geladen…

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