SMILES:
O=C1CCC(c2ccc3c(c2)NC(=O)CS3)=NN1Molecular Processing
Molecular formula
C12H11N3O2S
Molecular weight
261.31
Exact mass
261.0572
XLogP
1.34
TPSA
70.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
69.71
Supplementary Information
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