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Chemical ID: 7142911
Chemical ID:
7142911
Name [?]:
2-[5-[(4-hydroxyphenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C17H12N2O4S/c20-11-7-5-10(6-8-11)9-14-15(21)19-17(24-14)18-13-4-2-1-3-12(13)16(22)23/h1-9,20H,(H,22,23)(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,22,19,21,16,17,20,5,4,15,13,7,11,10,12,23,14,8,9,24/E:(5,6)(7,8)(22,23)/rA:24nCCCCCCCOONCNCOCCCCCCCCOS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12N2O4S |
All Atoms: | 36 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.87578 |
Area: | 525.82 |
Solvation: | -3.2697 |
Coulombic: | -73.6223 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.21 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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