ChemDB: Chemical Search
Download
Chemical ID: 7120721
Chemical ID:
7120721
Name [?]:
[4-(o-tolylmethyl)-2,3,5,6-tetrahydropyrazin-1-yl]-phenyl-methanone
SMILES [?]:
Cc1ccccc1C[NH+]2CCN(CC2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C19H22N2O/c1-16-7-5-6-10-18(16)15-20-11-13-21(14-12-20)19(22)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,20,19,21,4,5,3,18,22,6,10,14,11,13,8,2,17,7,15,9,12,16/E:(3,4)(8,9)(11,12)(13,14)/rA:22nCCCCCCCCN+CCNCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N2O+ |
All Atoms: | 45 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -18.5169 |
Area: | 499.43 |
Solvation: | -31.0027 |
Coulombic: | 10.2615 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.24 |
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 |
---|