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Chemical ID: 7144356
Chemical ID:
7144356
Name [?]:
3-(4-hydroxyphenyl)-5-(1H-pyrrol-2-ylmethylene)thiazolidine-2,4-dione
SMILES [?]:
c1cc([nH]c1)C=C2C(=O)N(C(=O)S2)c3ccc(cc3)O
InChi [?]:
InChI=1/C14H10N2O3S/c17-11-5-3-10(4-6-11)16-13(18)12(20-14(16)19)8-9-2-1-7-15-9/h1-8,15,17H
InChi Info:
AuxInfo=1/0/N:1,2,15,19,16,18,5,6,3,14,17,7,8,11,4,10,20,9,12,13/E:(3,4)(5,6)/rA:20nCCCNCCCCONCOSCCCCCCO/rB:s1;d2;s3;d1s4;s3;w6;s7;d8;s8;s10;d11;s7s11;s10;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10N2O3S |
All Atoms: | 30 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.10915 |
Area: | 457.684 |
Solvation: | -3.33295 |
Coulombic: | -53.6952 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 286.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.55 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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