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Chemical ID: 7140025
Chemical ID:
7140025
Name [?]:
2-(3-chloro-4-fluoro-phenyl)imino-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
InChi [?]:
InChI=1/C17H12ClFN2OS/c1-10-2-4-11(5-3-10)8-15-16(22)21-17(23-15)20-12-6-7-14(19)13(18)9-12/h2-9H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,16,17,8,20,2,5,15,19,18,9,10,13,21,22,14,12,11,23/E:(2,3)(4,5)/rA:23nCCCCCCCCCCONCNCCCCCCClFS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12ClFN2OS |
All Atoms: | 35 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4124 |
Area: | 527.245 |
Solvation: | -2.76878 |
Coulombic: | -33.2149 |
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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