[N-]=[N+]=Nc1ccc(S(=O)(=O)NCCSSCCNC(=O)CCC(=O)O)cc1
SMILES: [N-]=[N+]=Nc1ccc(S(=O)(=O)NCCSSCCNC(=O)CCC(=O)O)cc1

Molecular Processing

Molecular formula
C14H19N5O5S3
Molecular weight
433.54
Exact mass
433.0548
XLogP
2.27
TPSA
161.33
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
27
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
105.23

Supplementary Information

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