Chemical ID: 4399624

CCc1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3ccc(cc3)F
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

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Descriptor Annotations

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