ChemDB: Chemical Search
Download
Chemical ID: 6964986
Chemical ID:
6964986
Name [?]:
2-[(1-bromo-2-naphthyl)oxy]-N-[(3-hydroxyphenyl)methyleneamino]acetamide
SMILES [?]:
c1ccc2c(c1)ccc(c2Br)OCC(=O)NN=Cc3cccc(c3)O
InChi [?]:
InChI=1/C19H15BrN2O3/c20-19-16-7-2-1-5-14(16)8-9-17(19)25-12-18(24)22-21-11-13-4-3-6-15(23)10-13/h1-11,23H,12H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,6,22,3,7,8,24,18,13,19,5,23,4,9,14,10,11,17,16,25,15,12/rA:25nCCCCCCCCCCBrOCCONNCCCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s9;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15BrN2O3 |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.75289 |
Area: | 578.407 |
Solvation: | -6.70728 |
Coulombic: | -42.5549 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 399.238 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.33 |
LogP (Chemaxon): | 4.53 |
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 |
---|