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Chemical ID: 5801393
Chemical ID:
5801393
Name [?]:
5-(2-furylmethylene)-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2NC(=O)C(=Cc3ccco3)S2
InChi [?]:
InChI=1/C15H12N2O2S/c1-10-4-6-11(7-5-10)16-15-17-14(18)13(20-15)9-12-3-2-8-19-12/h2-9H,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,16,3,7,4,6,18,14,2,5,15,13,11,9,8,10,12,19,20/E:(4,5)(6,7)/rA:20nCCCCCCCNCNCOCCCCCCOS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12N2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.3129 |
Area: | 464.71 |
Solvation: | -3.30485 |
Coulombic: | -33.4492 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 284.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.23 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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