ChemDB: Chemical Search
Download
Chemical ID: 6157311
Chemical ID:
6157311
Name [?]:
N,N-bis(cyanomethyl)-2-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)CC(=O)N(CC#N)CC#N
InChi [?]:
InChI=1/C13H13N3O/c1-11-2-4-12(5-3-11)10-13(17)16(8-6-14)9-7-15/h2-5H,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,13,16,12,15,8,2,5,9,14,17,11,10/E:(2,3)(4,5)(6,7)(8,9)(14,15)/rA:17nCCCCCCCCCONCCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;t13;s11;s15;t16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13N3O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.21616 |
Area: | 445.565 |
Solvation: | -3.92295 |
Coulombic: | -20.9269 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 227.262 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.8 |
LogP (Chemaxon): | 1.53 |
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 |
---|