ChemDB: Chemical Search
Download
Chemical ID: 6490352
Chemical ID:
6490352
Name [?]:
2-[(1-bromo-2-naphthyl)oxy]-N-[(2,4-dichlorophenyl)methyleneamino]acetamide
SMILES [?]:
c1ccc2c(c1)ccc(c2Br)OCC(=O)NN=Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C19H13BrCl2N2O2/c20-19-15-4-2-1-3-12(15)6-8-17(19)26-11-18(25)24-23-10-13-5-7-14(21)9-16(13)22/h1-10H,11H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,20,7,21,8,23,18,13,5,19,22,4,24,9,14,10,11,26,25,17,16,15,12/rA:26nCCCCCCCCCCBrOCCONNCCCCCCCClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s9;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13BrCl2N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.65798 |
Area: | 611.666 |
Solvation: | -5.63367 |
Coulombic: | -27.6496 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 452.128 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.98 |
LogP (Chemaxon): | 5.85 |
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 |
---|