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Chemical ID: 4665008
Chemical ID:
4665008
Name [?]:
N-hexylbenzamide
SMILES [?]:
CCCCCCNC(=O)c1ccccc1
InChi [?]:
InChI=1/C13H19NO/c1-2-3-4-8-11-14-13(15)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,13,12,14,5,11,15,6,10,8,7,9/E:(6,7)(9,10)/rA:15nCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35948 |
Area: | 431.436 |
Solvation: | -1.42642 |
Coulombic: | -24.8029 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 205.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.91 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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