ChemDB: Chemical Search
Download
Chemical ID: 6847396
Chemical ID:
6847396
Name [?]:
[2-(4-methoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl] furan-2-carboxylate
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OC(=O)c3ccco3)c4ccc(cc4)OC)C
InChi [?]:
InChI=1/C23H18O6/c1-13-11-14(2)19-18(12-13)28-21(15-6-8-16(26-3)9-7-15)22(20(19)24)29-23(25)17-5-4-10-27-17/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,28,18,17,22,26,23,25,19,3,7,2,4,21,24,16,6,5,11,9,10,14,12,15,27,20,8,13/E:(6,7)(8,9)/rA:29nCCCCCCCOCCCOOCOCCCCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;d14;s14;d16;s17;d18;s16s19;s9;s21;d22;s23;d24;d21s25;s24;s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18O6 |
All Atoms: | 47 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1728 |
Area: | 590.097 |
Solvation: | -4.57968 |
Coulombic: | -53.6208 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 390.385 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.95 |
LogP (Chemaxon): | 4.48 |
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 |
---|