ChemDB: Chemical Search
Download
Chemical ID: 5119807
Chemical ID:
5119807
Name [?]:
7-(2-naphthyl)-4,7-dioxo-heptanoic acid
SMILES [?]:
c1ccc2cc(ccc2c1)C(=O)CCC(=O)CCC(=O)O
InChi [?]:
InChI=1/C17H16O4/c18-15(8-10-17(20)21)7-9-16(19)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,8,7,14,17,13,18,5,9,4,6,15,11,19,16,12,20,21/E:(20,21)/rA:21nCCCCCCCCCCCOCCCOCCCOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;s11;s13;s14;d15;s15;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8804 |
Area: | 508.404 |
Solvation: | -3.8297 |
Coulombic: | -41.111 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 284.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.13 |
LogP (Chemaxon): | 2.49 |
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 |
---|