الاسم: 1-(2-nitro-benzenesulfonyl)-3-methyl-piperazin-2-one HCl salt
SMILES:
CC1NCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O.ClMolecular Processing
Molecular formula
C11H14ClN3O5S
Molecular weight
335.77
Exact mass
335.0343
XLogP
0.53
TPSA
109.62
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.364
Molar refractivity
76.71
Supplementary Information
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