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Chemical ID: 6177572
Chemical ID:
6177572
Name [?]:
N-(4-acetylphenyl)-5-chloro-thiophene-2-carboxamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)c2ccc(s2)Cl
InChi [?]:
InChI=1/C13H10ClNO2S/c1-8(16)9-2-4-10(5-3-9)15-13(17)11-6-7-12(14)18-11/h2-7H,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,5,9,6,8,14,15,2,4,7,13,16,11,18,10,3,12,17/E:(2,3)(4,5)/rA:18nCCOCCCCCCNCOCCCCSCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s14;d15;s13s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10ClNO2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04924 |
Area: | 467.536 |
Solvation: | -2.63915 |
Coulombic: | -30.3153 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.743 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.11 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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