Chemical ID: 4865946

c1cc(cc(c1)F)C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)Cl)Cl
Chemical ID:
4865946
Name [?]:
3-(3,4-dichlorophenyl)-5-[(3-fluorophenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)F)C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C16H8Cl2FNOS2/c17-12-5-4-11(8-13(12)18)20-15(21)14(23-16(20)22)7-9-2-1-3-10(19)6-9/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,17,18,4,8,21,3,5,16,19,20,9,10,13,23,22,7,12,11,14,15/rA:23nCCCCCCFCCCONCSSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H8Cl2FNOS2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0178
Area:539.05
Solvation:-2.45847
Coulombic:-24.2409
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:384.277
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.8
LogP (Chemaxon):5.66

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Descriptor Annotations

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