ChemDB: Chemical Search
Download
Chemical ID: 4896547
Chemical ID:
4896547
Name [?]:
[3-(2-ethoxyphenoxy)-4-oxo-chromen-7-yl] benzoate
SMILES [?]:
CCOc1ccccc1Oc2coc3cc(ccc3c2=O)OC(=O)c4ccccc4
InChi [?]:
InChI=1/C24H18O6/c1-2-27-19-10-6-7-11-20(19)30-22-15-28-21-14-17(12-13-18(21)23(22)25)29-24(26)16-8-4-3-5-9-16/h3-15H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,28,27,29,6,7,26,30,5,8,17,18,15,12,25,16,19,4,9,14,11,20,23,21,24,3,13,22,10/E:(4,5)(8,9)/rA:30nCCOCCCCCCOCCOCCCCCCCOOCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s16;s22;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18O6 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3225 |
Area: | 626.314 |
Solvation: | -5.33536 |
Coulombic: | -53.1361 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 402.396 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.06 |
LogP (Chemaxon): | 4.92 |
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 |
---|