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Chemical ID: 7140072
Chemical ID:
7140072
Name [?]:
5-[(3,4-dihydroxyphenyl)methylene]-2-(4-fluorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(ccc1N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2)F
InChi [?]:
InChI=1/C16H11FN2O3S/c17-10-2-4-11(5-3-10)18-16-19-15(22)14(23-16)8-9-1-6-12(20)13(21)7-9/h1-8,20-21H,(H,18,19,22)
InChi Info:
AuxInfo=1/1/N:15,2,4,1,5,16,19,13,14,3,6,17,18,12,10,8,23,7,9,21,20,11,22/E:(2,3)(4,5)/rA:23nCCCCCCNCNCOCCCCCCCCOOSF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11FN2O3S |
All Atoms: | 34 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.58513 |
Area: | 501.417 |
Solvation: | -4.95029 |
Coulombic: | -63.6327 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 330.335 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.87 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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