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Chemical ID: 5804287
Chemical ID:
5804287
Name [?]:
3-(3,4-dichlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylene]thiazolidine-2,4-dione
SMILES [?]:
c1cc(ccc1COc2ccc(cc2)C=C3C(=O)N(C(=O)S3)c4ccc(c(c4)Cl)Cl)F
InChi [?]:
InChI=1/C23H14Cl2FNO3S/c24-19-10-7-17(12-20(19)25)27-22(28)21(31-23(27)29)11-14-3-8-18(9-4-14)30-13-15-1-5-16(26)6-2-15/h1-12H,13H2
InChi Info:
AuxInfo=1/0/N:1,5,11,13,2,4,24,10,14,25,15,28,7,12,6,3,23,9,26,27,16,17,20,30,29,31,19,18,21,8,22/E:(1,2)(3,4)(5,6)(8,9)/rA:31nCCCCCCCOCCCCCCCCCONCOSCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;d17;s17;s19;d20;s16s20;s19;s23;d24;s25;d26;d23s27;s27;s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H14Cl2FNO3S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9584 |
Area: | 676.781 |
Solvation: | -4.96112 |
Coulombic: | -41.1872 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 474.332 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.17 |
LogP (Chemaxon): | 6.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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