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Chemical ID: 6164107
Chemical ID:
6164107
Name [?]:
5-[[5-(2,4-dichlorophenyl)-2-furyl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one
SMILES [?]:
CN1C(=O)C(=Cc2ccc(o2)c3ccc(cc3Cl)Cl)SC1=S
InChi [?]:
InChI=1/C15H9Cl2NO2S2/c1-18-14(19)13(22-15(18)21)7-9-3-5-12(20-9)10-4-2-8(16)6-11(10)17/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,8,13,9,16,6,15,7,12,17,10,5,3,21,19,18,2,4,11,22,20/rA:22nCNCOCCCCCCOCCCCCCClClSCS/rB:s1;s2;d3;s3;w5;s6;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;s17;s15;s5;s2s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9Cl2NO2S2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1592 |
Area: | 522.633 |
Solvation: | -2.90663 |
Coulombic: | -25.0848 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 370.275 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.72 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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