Chemical ID: 4303876

c1cc(cc(c1)S(=O)(=O)N2CC(=O)NC(=O)C2)[N+](=O)[O-]
Chemical ID:
4303876
Name [?]:
4-(3-nitrophenyl)sulfonylpiperazine-2,6-dione
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)N2CC(=O)NC(=O)C2)[N+](=O)[O-]
InChi [?]:
InChI=1/C10H9N3O6S/c14-9-5-12(6-10(15)11-9)20(18,19)8-3-1-2-7(4-8)13(16)17/h1-4H,5-6H2,(H,11,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,11,17,3,5,12,15,14,10,18,13,16,19,20,8,9,7/E:(5,6)(9,10)(14,15)(16,17)(18,19)/CRV:13.5,20.6/rA:20nCCCCCCSOONCCONCOCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;d12;s12;s14;d15;s10s15;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9N3O6S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:1.72273
Area:449.263
Solvation:-9.50885
Coulombic:-45.2385
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:299.261
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:-0.62
LogP (Chemaxon):-0.49

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Descriptor Annotations

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