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Chemical ID: 6164290
Chemical ID:
6164290
Name [?]:
5-[(2,6-dichlorophenyl)methylene]-3-phenyl-2-thioxo-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N2C(=O)C(=Cc3c(cccc3Cl)Cl)SC2=S
InChi [?]:
InChI=1/C16H9Cl2NOS2/c17-12-7-4-8-13(18)11(12)9-14-15(20)19(16(21)22-14)10-5-2-1-3-6-10/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,15,3,5,14,16,11,4,12,13,17,10,8,21,19,18,7,9,22,20/E:(2,3)(5,6)(7,8)(12,13)(17,18)/rA:22nCCCCCCNCOCCCCCCCCClClSCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;s13;s10;s7s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H9Cl2NOS2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2937 |
Area: | 511.938 |
Solvation: | -1.50479 |
Coulombic: | -21.496 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 366.286 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.64 |
LogP (Chemaxon): | 5.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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