SMILES:
O=C1c2ccccc2C(=O)C1Cc1n[nH]c(=S)[nH]c1=OMolecular Processing
Molecular formula
C13H9N3O3S
Molecular weight
287.3
Exact mass
287.0365
XLogP
1.07
TPSA
95.68
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
72.34
Supplementary Information
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