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Chemical ID: 6735962
Chemical ID:
6735962
Name [?]:
(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(3-fluorophenyl)-azanide
SMILES [?]:
c1cc(cc(c1)F)[N-]S(=O)(=O)c2ccc3c(c2)[nH]c(=O)c(=O)[nH]3
InChi [?]:
InChI=1/C14H9FN3O4S/c15-8-2-1-3-9(6-8)18-23(21,22)10-4-5-11-12(7-10)17-14(20)13(19)16-11/h1-7H,(H,16,19)(H,17,20)/q-1
InChi Info:
AuxInfo=1/1/N:1,6,2,13,14,4,17,5,3,12,15,16,21,19,7,23,18,8,22,20,10,11,9/E:(21,22)/CRV:18-1,23.6/rA:23nCCCCCCFN-SOOCCCCCCNCOCON/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;d21;s15s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9FN3O4S- |
All Atoms: | 32 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.8498 |
Area: | 490.485 |
Solvation: | -33.1119 |
Coulombic: | -26.2351 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 334.303 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.7 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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