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Chemical ID: 4676498
Chemical ID:
4676498
Name [?]:
2-[2-[[2,4-dioxo-3-(p-tolyl)thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C(=Cc3ccccc3OCC(=O)O)SC2=O
InChi [?]:
InChI=1/C19H15NO5S/c1-12-6-8-14(9-7-12)20-18(23)16(26-19(20)24)10-13-4-2-3-5-15(13)25-11-17(21)22/h2-10H,11H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,3,7,4,6,12,20,2,13,5,18,11,21,9,25,8,22,23,10,26,19,24/E:(6,7)(8,9)(21,22)/rA:26nCCCCCCCNCOCCCCCCCCOCCOOSCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;d21;s21;s11;s8s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO5S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.544 |
Area: | 572.522 |
Solvation: | -4.76906 |
Coulombic: | -62.8543 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.88 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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