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Chemical ID: 6396432
Chemical ID:
6396432
Name [?]:
N-octylfuran-2-carboxamide
SMILES [?]:
CCCCCCCCNC(=O)c1ccco1
InChi [?]:
InChI=1/C13H21NO2/c1-2-3-4-5-6-7-10-14-13(15)12-9-8-11-16-12/h8-9,11H,2-7,10H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,14,13,8,15,12,10,9,11,16/rA:16nCCCCCCCCNCOCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.83773 |
Area: | 466.408 |
Solvation: | -1.82248 |
Coulombic: | -32.3334 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 223.311 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.75 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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