SMILES:
C#CCNC(=C[N+](=O)[O-])NCCSCc1[nH]cnc1COMolecular Processing
Molecular formula
C12H17N5O3S
Molecular weight
311.37
Exact mass
311.1052
XLogP
0.02
TPSA
116.11
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
80.59
Supplementary Information
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Involved in 1 reactions→