SMILES:
[N-]=[N+]=NCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1Molecular Processing
Molecular formula
C14H13N5O4S2
Molecular weight
379.42
Exact mass
379.0409
XLogP
1.34
TPSA
135.47
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
91.72
Supplementary Information
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