ChemDB: Chemical Search
Download
Chemical ID: 7432074
Chemical ID:
7432074
Name [?]:
7-benzyloxy-3-(4-fluorophenyl)-chromen-2-one
SMILES [?]:
c1ccc(cc1)COc2ccc3cc(c(=O)oc3c2)c4ccc(cc4)F
InChi [?]:
InChI=1/C22H15FO3/c23-18-9-6-16(7-10-18)20-12-17-8-11-19(13-21(17)26-22(20)24)25-14-15-4-2-1-3-5-15/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,21,25,11,22,24,10,13,19,7,4,20,12,23,9,14,18,15,26,16,8,17/E:(2,3)(4,5)(6,7)(9,10)/rA:26nCCCCCCCOCCCCCCCOOCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s12;d13;s14;d15;s15;d12s17;d9s18;s14;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15FO3 |
All Atoms: | 41 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.05029 |
Area: | 549.02 |
Solvation: | -4.67522 |
Coulombic: | -32.9366 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 346.351 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.42 |
LogP (Chemaxon): | 5.46 |
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 |
---|