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Chemical ID: 4346034
Chemical ID:
4346034
Name [?]:
N-tert-butylbenzofuran-2-carboxamide
SMILES [?]:
CC(C)(C)NC(=O)c1cc2ccccc2o1
InChi [?]:
InChI=1/C13H15NO2/c1-13(2,3)14-12(15)11-8-9-6-4-5-7-10(9)16-11/h4-8H,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,13,11,14,9,10,15,8,6,2,5,7,16/E:(1,2,3)/rA:16nCCCCNCOCCCCCCCCO/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;d11;s12;d13;d10s14;s8s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.42006 |
Area: | 399.07 |
Solvation: | -1.55668 |
Coulombic: | -32.3509 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 217.264 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.78 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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