ChemDB: Chemical Search
Download
Chemical ID: 4259488
Chemical ID:
4259488
Name [?]:
3-(3-pyridyl)prop-2-enyl acetate
SMILES [?]:
CC(=O)OCC=Cc1cccnc1
InChi [?]:
InChI=1/C10H11NO2/c1-9(12)13-7-3-5-10-4-2-6-11-8-10/h2-6,8H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,6,9,7,11,5,13,2,8,12,3,4/rA:13nCCOOCCCCCCCNC/rB:s1;d2;s2;s4;s5;w6;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.50047 |
Area: | 361.553 |
Solvation: | -2.53835 |
Coulombic: | -22.9862 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 177.2 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.3 |
LogP (Chemaxon): | 0.86 |
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 |
---|