ChemDB: Chemical Search
Download
Chemical ID: 6882362
Chemical ID:
6882362
Name [?]:
ethyl 2-[3-(2-chlorophenyl)-4-oxo-chromen-7-yl]oxypropanoate
SMILES [?]:
CCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)c3ccccc3Cl
InChi [?]:
InChI=1/C20H17ClO5/c1-3-24-20(23)12(2)26-13-8-9-15-18(10-13)25-11-16(19(15)22)14-6-4-5-7-17(14)21/h4-12H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,22,23,21,24,10,11,14,16,6,9,20,12,17,25,13,18,4,26,19,5,3,15,8/rA:26cCCOCOCCOCCCCCCOCCCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s12s17;d18;s17;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17ClO5 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0239 |
Area: | 580.653 |
Solvation: | -4.49245 |
Coulombic: | -44.5708 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.799 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.57 |
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 |
---|