ChemDB: Chemical Search
Download
Chemical ID: 7343353
Chemical ID:
7343353
Name [?]:
[2-[(2-methyl-2H-chromen-3-yl)methylene]-3-oxo-benzofuran-6-yl] furan-2-carboxylate
SMILES [?]:
CC1C(=Cc2ccccc2O1)C=C3C(=O)c4ccc(cc4O3)OC(=O)c5ccco5
InChi [?]:
InChI=1/C24H16O6/c1-14-16(11-15-5-2-3-6-19(15)28-14)12-22-23(25)18-9-8-17(13-21(18)30-22)29-24(26)20-7-4-10-27-20/h2-14H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,28,6,9,27,18,17,29,4,12,20,2,5,3,19,16,10,26,21,13,14,24,15,25,30,11,23,22/rA:30cCCCCCCCCCCOCCCOCCCCCCOOCOCCCCO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s2s10;s3;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s13s21;s19;s23;d24;s24;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H16O6 |
All Atoms: | 46 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.95493 |
Area: | 599.998 |
Solvation: | -5.04503 |
Coulombic: | -53.6522 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 400.38 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.62 |
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 |
---|