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Chemical ID: 5568482
Chemical ID:
5568482
Name [?]:
2-[2-(4-chloro-3-methyl-phenoxy)acetyl]aminothiophene-3-carboxamide
SMILES [?]:
Cc1cc(ccc1Cl)OCC(=O)Nc2c(ccs2)C(=O)N
InChi [?]:
InChI=1/C14H13ClN2O3S/c1-8-6-9(2-3-11(8)15)20-7-12(18)17-14-10(13(16)19)4-5-21-14/h2-6H,7H2,1H3,(H2,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,6,16,17,3,10,2,4,15,7,11,19,14,8,21,13,12,20,9,18/rA:21nCCCCCCCClOCCONCCCCSCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s15;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13ClN2O3S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.99371 |
Area: | 515.25 |
Solvation: | -4.88754 |
Coulombic: | -53.6523 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.783 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.19 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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