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Chemical ID: 7142195
Chemical ID:
7142195
Name [?]:
5-[(2,4-dichlorophenyl)methylene]-3-(4-ethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3Cl)Cl)SC2=S
InChi [?]:
InChI=1/C18H13Cl2NOS2/c1-2-11-3-7-14(8-4-11)21-17(22)16(24-18(21)23)9-12-5-6-13(19)10-15(12)20/h3-10H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,8,15,16,5,7,13,18,3,14,17,6,19,12,10,23,21,20,9,11,24,22/E:(3,4)(7,8)/rA:24nCCCCCCCCNCOCCCCCCCCClClSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s17;s12;s9s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13Cl2NOS2 |
All Atoms: | 37 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.1121 |
Area: | 586.173 |
Solvation: | -1.54219 |
Coulombic: | -21.6324 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.54 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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