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Chemical ID: 4506930
Chemical ID:
4506930
Name [?]:
5-(2-furylmethylene)-3-phenyl-thiazolidine-2,4-dione
SMILES [?]:
c1ccc(cc1)N2C(=O)C(=Cc3ccco3)SC2=O
InChi [?]:
InChI=1/C14H9NO3S/c16-13-12(9-11-7-4-8-18-11)19-14(17)15(13)10-5-2-1-3-6-10/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,3,5,13,15,11,4,12,10,8,18,7,9,19,16,17/E:(2,3)(5,6)/rA:19nCCCCCCNCOCCCCCCOSCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;w10;s11;d12;s13;d14;s12s15;s10;s7s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9NO3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.13118 |
Area: | 434.999 |
Solvation: | -3.7438 |
Coulombic: | -33.1481 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 271.292 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.84 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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