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Chemical ID: 7143239
Chemical ID:
7143239
Name [?]:
3-[5-[(4-fluorophenyl)methylene]-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(cc3)F)S2)C(=O)O
InChi [?]:
InChI=1/C18H13FN2O3S/c1-10-2-5-12(17(23)24)9-14(10)20-18-21-16(22)15(25-18)8-11-3-6-13(19)7-4-11/h2-9H,1H3,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,16,20,4,17,19,14,6,2,15,5,18,7,13,11,23,9,21,8,10,12,24,25,22/E:(3,4)(6,7)(23,24)/rA:25nCCCCCCCNCNCOCCCCCCCCFSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;s5;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13FN2O3S |
All Atoms: | 38 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.64774 |
Area: | 536.705 |
Solvation: | -3.76989 |
Coulombic: | -60.4491 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.36 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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