ChemDB: Chemical Search
Download
Chemical ID: 4664878
Chemical ID:
4664878
Name [?]:
4-styrylpyridine
SMILES [?]:
c1ccc(cc1)C=Cc2ccncc2
InChi [?]:
InChI=1/C13H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,8,10,14,11,13,4,9,12/E:(2,3)(4,5)(8,9)(10,11)/rA:14nCCCCCCCCCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.14279 |
Area: | 343.189 |
Solvation: | -1.43694 |
Coulombic: | -7.52445 |
Bond Count [?]
All: | 15 |
Single: | 8 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 181.233 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.4 |
LogP (Chemaxon): | 2.95 |
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 |
---|