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Chemical ID: 4676501
Chemical ID:
4676501
Name [?]:
5-[(2-hydroxyphenyl)methylene]-3-(p-tolyl)thiazolidine-2,4-dione
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C(=Cc3ccccc3O)SC2=O
InChi [?]:
InChI=1/C17H13NO3S/c1-11-6-8-13(9-7-11)18-16(20)15(22-17(18)21)10-12-4-2-3-5-14(12)19/h2-10,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,17,3,7,4,6,12,2,13,5,18,11,9,21,8,19,10,22,20/E:(6,7)(8,9)/rA:22nCCCCCCCNCOCCCCCCCCOSCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s11;s8s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13NO3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27829 |
Area: | 492.15 |
Solvation: | -3.02546 |
Coulombic: | -45.2713 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 311.356 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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