Chemical ID: 4419344

Cc1ccc(cc1)C(=C2C(=O)N(C(=S)S2)c3ccc(cc3)F)C
Chemical ID:
4419344
Name [?]:
3-(4-fluorophenyl)-5-[1-(p-tolyl)ethylidene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C(=C2C(=O)N(C(=S)S2)c3ccc(cc3)F)C
InChi [?]:
InChI=1/C18H14FNOS2/c1-11-3-5-13(6-4-11)12(2)16-17(21)20(18(22)23-16)15-9-7-14(19)8-10-15/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,3,7,4,6,18,20,17,21,2,8,5,19,16,9,10,13,22,12,11,14,15/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCCCONCSSCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;s19;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14FNOS2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.491
Area:520.461
Solvation:-2.52051
Coulombic:-23.6851
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:343.44
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.13
LogP (Chemaxon):5.25

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Descriptor Annotations

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