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Chemical ID: 6142733
Chemical ID:
6142733
Name [?]:
5-[[5-(2-chlorophenyl)-2-furyl]methylene]-4-thioxo-thiazolidin-2-one
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C=C3C(=S)NC(=O)S3)Cl
InChi [?]:
InChI=1/C14H8ClNO2S2/c15-10-4-2-1-3-9(10)11-6-5-8(18-11)7-12-13(19)16-14(17)20-12/h1-7H,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,9,8,12,10,5,4,7,13,14,17,20,16,18,11,15,19/rA:20nCCCCCCCCCCOCCCSNCOSCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;w12;s13;d14;s14;s16;d17;s13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8ClNO2S2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3594 |
Area: | 475.189 |
Solvation: | -2.52034 |
Coulombic: | -31.3587 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 321.804 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.96 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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