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Chemical ID: 7143260
Chemical ID:
7143260
Name [?]:
2-[5-[(2,4-dichlorophenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3ccc(cc3Cl)Cl)S2
InChi [?]:
InChI=1/C17H10Cl2N2O3S/c18-10-6-5-9(12(19)8-10)7-14-15(22)21-17(25-14)20-13-4-2-1-3-11(13)16(23)24/h1-8H,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,19,16,21,17,20,5,22,4,15,13,7,11,24,23,10,12,14,8,9,25/E:(23,24)/rA:25nCCCCCCCOONCNCOCCCCCCCCClClS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s22;s20;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10Cl2N2O3S |
All Atoms: | 35 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.1034 |
Area: | 577.735 |
Solvation: | -2.33992 |
Coulombic: | -58.7287 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.86 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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