ChemDB: Chemical Search
Download
Chemical ID: 4532686
Chemical ID:
4532686
Name [?]:
8-[[5-(4-chlorophenyl)-2-furyl]methylene]-6,10-dioxaspiro[4.5]decane-7,9-dione
SMILES [?]:
c1cc(ccc1c2ccc(o2)C=C3C(=O)OC4(CCCC4)OC3=O)Cl
InChi [?]:
InChI=1/C19H15ClO5/c20-13-5-3-12(4-6-13)16-8-7-14(23-16)11-15-17(21)24-19(25-18(15)22)9-1-2-10-19/h3-8,11H,1-2,9-10H2
InChi Info:
AuxInfo=1/0/N:19,20,1,5,2,4,9,8,18,21,12,6,3,10,13,7,14,23,17,25,15,24,11,16,22/E:(1,2)(3,4)(5,6)(9,10)(17,18)(21,22)(24,25)/rA:25nCCCCCCCCCCOCCCOOCCCCCOCOCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;d12;s13;d14;s14;s16;s17;s18;s19;s17s20;s17;s13s22;d23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClO5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.9163 |
Area: | 543.486 |
Solvation: | -3.67085 |
Coulombic: | -46.5799 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 358.772 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.54 |
LogP (Chemaxon): | 4.1 |
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 |
---|