ChemDB: Chemical Search
Download
Chemical ID: 4148864
Chemical ID:
4148864
Name [?]:
7-[(4-fluorophenyl)methoxy]-3-(2-methoxyphenyl)-chromen-4-one
SMILES [?]:
COc1ccccc1c2coc3cc(ccc3c2=O)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C23H17FO4/c1-26-21-5-3-2-4-18(21)20-14-28-22-12-17(10-11-19(22)23(20)25)27-13-15-6-8-16(24)9-7-15/h2-12,14H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,23,27,24,26,15,16,13,21,10,22,25,14,8,17,9,3,12,18,28,19,2,20,11/E:(6,7)(8,9)/rA:28nCOCCCCCCCCOCCCCCCCOOCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s14;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17FO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.55452 |
Area: | 579.48 |
Solvation: | -5.93247 |
Coulombic: | -35.8721 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 376.377 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.24 |
LogP (Chemaxon): | 5.27 |
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 |
---|