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Chemical ID: 4865946
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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