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Chemical ID: 7142594
Chemical ID:
7142594
Name [?]:
3-[3-(2-ethylphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-5-fluoro-indolin-2-one
SMILES [?]:
CCc1ccccc1N2C(=O)C(=C3c4cc(ccc4NC3=O)F)SC2=S
InChi [?]:
InChI=1/C19H13FN2O2S2/c1-2-10-5-3-4-6-14(10)22-18(24)16(26-19(22)25)15-12-9-11(20)7-8-13(12)21-17(15)23/h3-9H,2H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,7,17,18,15,3,16,14,19,8,13,12,21,10,25,23,20,9,22,11,26,24/rA:26nCCCCCCCCNCOCCCCCCCCNCOFSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s13s20;d21;s16;s12;s9s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13FN2O2S2 |
All Atoms: | 39 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0922 |
Area: | 529.563 |
Solvation: | -3.14687 |
Coulombic: | -43.1809 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.11 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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