SMILES:
CON=C(C([O-])=[SH]c1nc2ccccc2s1)c1nsc(N)n1Molecular Processing
Molecular formula
C12H10N5O2S3-
Molecular weight
352.45
Exact mass
352.0002
XLogP
1.1
TPSA
109.34
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
89.75
Supplementary Information
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