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Chemical ID: 6178138
Chemical ID:
6178138
Name [?]:
5-[(2,4-dichlorophenyl)methylene]-3-(p-tolyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3Cl)Cl)SC2=S
InChi [?]:
InChI=1/C17H11Cl2NOS2/c1-10-2-6-13(7-3-10)20-16(21)15(23-17(20)22)8-11-4-5-12(18)9-14(11)19/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,14,15,4,6,12,17,2,13,16,5,18,11,9,22,20,19,8,10,23,21/E:(2,3)(6,7)/rA:23nCCCCCCCNCOCCCCCCCCClClSCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s16;s11;s8s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11Cl2NOS2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.457 |
Area: | 557.491 |
Solvation: | -1.48032 |
Coulombic: | -21.2807 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 380.313 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.07 |
LogP (Chemaxon): | 5.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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