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Chemical ID: 7706009
Chemical ID:
7706009
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)c2nc(sn2)SCC(=O)Nc3ccc(cc3)OC(F)(F)F
InChi [?]:
InChI=1/C18H14F3N3O2S2/c1-11-2-4-12(5-3-11)16-23-17(28-24-16)27-10-15(25)22-13-6-8-14(9-7-13)26-18(19,20)21/h2-9H,10H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,19,23,20,22,14,2,5,18,21,15,8,10,25,26,27,28,17,9,12,16,24,13,11/E:(2,3)(4,5)(6,7)(8,9)(19,20,21)/rA:28nCCCCCCCCNCSNSCCONCCCCCCOCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14F3N3O2S2 |
All Atoms: | 42 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.0983 |
Area: | 614.421 |
Solvation: | -3.2622 |
Coulombic: | -63.7562 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.85 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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