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Chemical ID: 6735963
Chemical ID:
6735963
Name [?]:
N-(o-tolyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILES [?]:
Cc1ccccc1NS(=O)(=O)c2ccc3c(c2)[nH]c(=O)c(=O)[nH]3
InChi [?]:
InChI=1/C15H13N3O4S/c1-9-4-2-3-5-11(9)18-23(21,22)10-6-7-12-13(8-10)17-15(20)14(19)16-12/h2-8,18H,1H3,(H,16,19)(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,13,14,17,2,12,7,15,16,21,19,23,18,8,22,20,10,11,9/E:(21,22)/CRV:23.6/rA:23nCCCCCCCNSOOCCCCCCNCOCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;d21;s15s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13N3O4S |
All Atoms: | 36 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74794 |
Area: | 490.178 |
Solvation: | -3.50651 |
Coulombic: | -56.5255 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 331.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.92 |
LogP (Chemaxon): | 1.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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