이름: 1-(2-nitro-4-trifluoromethyl-benzenesulfonyl)-piperazin-2-one HCl salt
SMILES:
Cl.O=C1CNCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C11H11ClF3N3O5S
Molecular weight
389.74
Exact mass
389.006
XLogP
1.16
TPSA
109.62
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.364
Molar refractivity
77.11
Supplementary Information
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