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Chemical ID: 6464635
Chemical ID:
6464635
Name [?]:
5-[(2-chloro-6-fluoro-phenyl)methylene]-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2NC(=O)C(=Cc3c(cccc3Cl)F)S2
InChi [?]:
InChI=1/C17H12ClFN2OS/c1-10-5-7-11(8-6-10)20-17-21-16(22)15(23-17)9-12-13(18)3-2-4-14(12)19/h2-9H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,18,19,17,3,7,4,6,14,2,5,15,20,16,13,11,9,21,22,8,10,12,23/E:(5,6)(7,8)/rA:23nCCCCCCCNCNCOCCCCCCCCClFS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s16;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12ClFN2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3551 |
Area: | 519.745 |
Solvation: | -2.63848 |
Coulombic: | -33.3696 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 346.807 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.31 |
LogP (Chemaxon): | 5.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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