ChemDB: Chemical Search
Download
Chemical ID: 7419274
Chemical ID:
7419274
Name [?]:
N-allyl-2-(5-chloro-6-methyl-benzofuran-3-yl)-acetamide
SMILES [?]:
Cc1cc2c(cc1Cl)c(co2)CC(=O)NCC=C
InChi [?]:
InChI=1/C14H14ClNO2/c1-3-4-16-14(17)6-10-8-18-13-5-9(2)12(15)7-11(10)13/h3,5,7-8H,1,4,6H2,2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:18,1,17,16,3,12,6,10,2,9,5,7,4,13,8,15,14,11/rA:18nCCCCCCCClCCOCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s4s10;s9;s12;d13;s13;s15;s16;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14ClNO2 |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.44948 |
Area: | 462.794 |
Solvation: | -3.12037 |
Coulombic: | -28.8151 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.719 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.66 |
LogP (Chemaxon): | 3.36 |
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 |
---|