ChemDB: Chemical Search
Download
Chemical ID: 5282859
Chemical ID:
5282859
Name [?]:
6-[(4-chlorophenyl)methoxy]-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one
SMILES [?]:
Cc1ccc(o1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H15ClO4/c1-13-2-7-17(25-13)11-20-21(23)18-9-8-16(10-19(18)26-20)24-12-14-3-5-15(22)6-4-14/h2-11H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,21,25,22,24,4,13,12,15,7,19,2,20,23,14,5,11,16,8,9,26,10,18,6,17/E:(3,4)(5,6)/rA:26nCCCCCOCCCOCCCCCCOOCCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15ClO4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.71832 |
Area: | 579.252 |
Solvation: | -4.76297 |
Coulombic: | -31.0809 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 366.794 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.34 |
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 |
---|