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Chemical ID: 7272844
Chemical ID:
7272844
Name [?]:
N-(2-chloro-4-methyl-phenyl)-5-methyl-thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(c(c1)Cl)NC(=O)c2ccc(s2)C
InChi [?]:
InChI=1/C13H12ClNOS/c1-8-3-5-11(10(14)7-8)15-13(16)12-6-4-9(2)17-12/h3-7H,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,3,14,4,13,7,2,15,6,5,12,10,8,9,11,16/rA:17nCCCCCCCClNCOCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;d12;s13;d14;s12s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12ClNOS |
All Atoms: | 29 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.93479 |
Area: | 447.326 |
Solvation: | -1.24837 |
Coulombic: | -24.1863 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 265.759 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.93 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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