ChemDB: Chemical Search
Download
Chemical ID: 5617234
Chemical ID:
5617234
Name [?]:
N-(3,4-dichlorophenyl)-3-phenoxy-propanamide
SMILES [?]:
c1ccc(cc1)OCCC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO2/c16-13-7-6-11(10-14(13)17)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,15,9,8,18,13,4,16,17,10,20,19,12,11,7/E:(2,3)(4,5)/rA:20nCCCCCCOCCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.92889 |
Area: | 509.004 |
Solvation: | -2.7962 |
Coulombic: | -29.6377 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 310.175 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.08 |
LogP (Chemaxon): | 4.09 |
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 |
---|