ChemDB: Chemical Search
Download
Chemical ID: 7048445
Chemical ID:
7048445
Name [?]:
2-[(2-ethoxyphenyl)methylene]-6-[(2,3,4,5,6-pentafluorophenyl)methoxy]benzofuran-3-one
SMILES [?]:
CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OCc4c(c(c(c(c4F)F)F)F)F
InChi [?]:
InChI=1/C24H15F5O4/c1-2-31-16-6-4-3-5-12(16)9-18-24(30)14-8-7-13(10-17(14)33-18)32-11-15-19(25)21(27)23(29)22(28)20(15)26/h3-10H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,16,15,10,18,22,9,17,14,23,4,19,11,24,28,25,27,26,12,33,29,32,30,31,13,3,21,20/E:(19,20)(21,22)(25,26)(27,28)/rA:33nCCOCCCCCCCCCOCCCCCCOOCCCCCCCFFFFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;s22;s23;d24;s25;d26;d23s27;s28;s27;s26;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H15F5O4 |
All Atoms: | 48 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42792 |
Area: | 648.652 |
Solvation: | -8.78838 |
Coulombic: | -46.9883 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 462.366 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.4 |
LogP (Chemaxon): | 5.64 |
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 |
---|