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Chemical ID: 4399624
Chemical ID:
4399624
Name [?]:
5-[(4-ethylphenyl)methylene]-3-(4-fluorophenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H14FNOS2/c1-2-12-3-5-13(6-4-12)11-16-17(21)20(18(22)23-16)15-9-7-14(19)8-10-15/h3-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,8,5,7,19,21,18,22,9,3,6,20,17,10,11,14,23,13,12,15,16/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCCCCONCSSCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s10s14;s13;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14FNOS2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5975 |
Area: | 524.019 |
Solvation: | -2.50299 |
Coulombic: | -24.1076 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 343.44 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.45 |
LogP (Chemaxon): | 5.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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