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Chemical ID: 7143182
Chemical ID:
7143182
Name [?]:
2-[5-[3-(2-furyl)prop-2-enylidene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=CC=Cc3ccco3)S2
InChi [?]:
InChI=1/C17H12N2O4S/c20-15-14(9-3-5-11-6-4-10-23-11)24-17(19-15)18-13-8-2-1-7-12(13)16(21)22/h1-10H,(H,21,22)(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,17,21,18,20,6,3,16,22,19,5,4,15,13,7,11,10,12,14,8,9,23,24/E:(21,22)/rA:24nCCCCCCCOONCNCOCCCCCCCCOS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s12;d13;s13;w15;s16;w17;s18;d19;s20;d21;s19s22;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12N2O4S |
All Atoms: | 36 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0303 |
Area: | 548.163 |
Solvation: | -3.67382 |
Coulombic: | -64.0605 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.58 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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