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Chemical ID: 4377383
Chemical ID:
4377383
Name [?]:
5-[(3-chloro-4-hydroxy-phenyl)methylene]-3-(4-chlorophenyl)-thiazolidine-2,4-dione
SMILES [?]:
c1cc(ccc1N2C(=O)C(=Cc3ccc(c(c3)Cl)O)SC2=O)Cl
InChi [?]:
InChI=1/C16H9Cl2NO3S/c17-10-2-4-11(5-3-10)19-15(21)14(23-16(19)22)8-9-1-6-13(20)12(18)7-9/h1-8,20H
InChi Info:
AuxInfo=1/0/N:13,2,4,1,5,14,17,11,12,3,6,16,15,10,8,21,23,18,7,19,9,22,20/E:(2,3)(4,5)/rA:23nCCCCCCNCOCCCCCCCCClOSCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s15;s10;s7s20;d21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H9Cl2NO3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0825 |
Area: | 536.555 |
Solvation: | -3.33135 |
Coulombic: | -45.3291 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 366.219 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.98 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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