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Chemical ID: 6644590
Chemical ID:
6644590
Name [?]:
N-[1-hydroxy-2-oxo-2-(2-thienyl)ethyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NC(C(=O)c2cccs2)O
InChi [?]:
InChI=1/C13H11NO3S/c15-11(10-7-4-8-18-10)13(17)14-12(16)9-5-2-1-3-6-9/h1-8,13,17H,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,3,5,14,16,4,13,11,7,10,9,12,8,18,17/E:(2,3)(5,6)/rA:18cCCCCCCCONCCOCCCCSO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s11;d13;s14;d15;s13s16;s10;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11NO3S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.871 |
Area: | 445.383 |
Solvation: | -3.26356 |
Coulombic: | -49.9311 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.297 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.31 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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