ChemDB: Chemical Search
Download
Chemical ID: 4663268
Chemical ID:
4663268
Name [?]:
N-(2-furylmethyl)aniline
SMILES [?]:
c1ccc(cc1)NCc2ccco2
InChi [?]:
InChI=1/C11H11NO/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h1-8,12H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,3,5,10,12,8,4,9,7,13/E:(2,3)(5,6)/rA:13nCCCCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.62828 |
Area: | 355.195 |
Solvation: | -2.25159 |
Coulombic: | -19.7317 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 173.211 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.08 |
LogP (Chemaxon): | 2.35 |
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 |
---|