SMILES:
C#CCNC(=C[N+](=O)[O-])NCCSCc1[nH]cnc1CMolecular Processing
Molecular formula
C12H17N5O2S
Molecular weight
295.37
Exact mass
295.1103
XLogP
0.84
TPSA
95.88
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
79.4
Supplementary Information
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