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Chemical ID: 5818331
Chemical ID:
5818331
Name [?]:
ethyl 2-[5-(2-furylmethylene)-2,4-dioxo-thiazolidin-3-yl]acetate
SMILES [?]:
CCOC(=O)CN1C(=O)C(=Cc2ccco2)SC1=O
InChi [?]:
InChI=1/C12H11NO5S/c1-2-17-10(14)7-13-11(15)9(19-12(13)16)6-8-4-3-5-18-8/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,11,6,12,10,4,8,18,7,5,9,19,3,16,17/rA:19nCCOCOCNCOCCCCCCOSCO/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;w10;s11;d12;s13;d14;s12s15;s10;s7s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO5S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.82494 |
Area: | 455.267 |
Solvation: | -4.55674 |
Coulombic: | -50.2533 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.285 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.4 |
LogP (Chemaxon): | 0.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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