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Chemical ID: 5428471
Chemical ID:
5428471
Name [?]:
2-(2,6-dimethylphenyl)imino-5-[(2-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1N=C2NC(=O)C(=Cc3ccccc3F)S2)C
InChi [?]:
InChI=1/C18H15FN2OS/c1-11-6-5-7-12(2)16(11)20-18-21-17(22)15(23-18)10-13-8-3-4-9-14(13)19/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,17,18,4,3,5,16,19,14,2,6,15,20,13,7,11,9,21,8,10,12,22/E:(1,2)(6,7)(11,12)/rA:23nCCCCCCCNCNCOCCCCCCCCFSC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s9s13;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15FN2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2794 |
Area: | 507.468 |
Solvation: | -2.40733 |
Coulombic: | -34.1297 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 326.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.7 |
LogP (Chemaxon): | 5.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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