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Chemical ID: 7141027
Chemical ID:
7141027
Name [?]:
2-(4-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(ccc1N=C2NC(=O)C(=Cc3ccc(cc3Cl)Cl)S2)Cl
InChi [?]:
InChI=1/C16H9Cl3N2OS/c17-10-3-5-12(6-4-10)20-16-21-15(22)14(23-16)7-9-1-2-11(18)8-13(9)19/h1-8H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:15,16,2,4,1,5,13,18,14,3,17,6,19,12,10,8,23,21,20,7,9,11,22/E:(3,4)(5,6)/rA:23nCCCCCCNCNCOCCCCCCCCClClSCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s17;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H9Cl3N2OS |
All Atoms: | 32 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2472 |
Area: | 565.054 |
Solvation: | -1.87914 |
Coulombic: | -30.8204 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 383.68 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.96 |
LogP (Chemaxon): | 5.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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