ChemDB: Chemical Search
Download
Chemical ID: 6697772
Chemical ID:
6697772
Name [?]:
4-methyl-N-(1H-pyridin-5-yl)benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccc[nH+]c2
InChi [?]:
InChI=1/C13H12N2O/c1-10-4-6-11(7-5-10)13(16)15-12-3-2-8-14-9-12/h2-9H,1H3,(H,15,16)/p+1
InChi Info:
AuxInfo=1/1/N:1,13,12,3,7,4,6,14,16,2,5,11,8,15,10,9/E:(4,5)(6,7)/rA:16nCCCCCCCCONCCCCN+C/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13N2O+ |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -25.0736 |
Area: | 397.041 |
Solvation: | -34.9997 |
Coulombic: | -12.7743 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 213.255 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.18 |
LogP (Chemaxon): | 2.26 |
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 |
---|