ChemDB: Chemical Search
Download
Chemical ID: 7122177
Chemical ID:
7122177
Name [?]:
(4-cyclohexyl-2,3,5,6-tetrahydropyrazin-1-yl)-(4-pyridyl)methanone
SMILES [?]:
c1cnccc1C(=O)N2CC[NH+](CC2)C3CCCCC3
InChi [?]:
InChI=1/C16H23N3O/c20-16(14-6-8-17-9-7-14)19-12-10-18(11-13-19)15-4-2-1-3-5-15/h6-9,15H,1-5,10-13H2/p+1
InChi Info:
AuxInfo=1/1/N:18,17,19,16,20,1,5,2,4,11,13,10,14,6,15,7,3,12,9,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:20nCCNCCCCONCCN+CCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N3O+ |
All Atoms: | 44 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.504 |
Area: | 462.653 |
Solvation: | -32.0704 |
Coulombic: | 8.85161 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 274.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.79 |
LogP (Chemaxon): | 1.27 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|