ChemDB: Chemical Search
Download
Chemical ID: 4932137
Chemical ID:
4932137
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C=c2cc-3oc(=O)c4c3c(c2=O)ccc4
InChi [?]:
InChI=1/C18H10O3/c19-17-12(9-11-5-2-1-3-6-11)10-15-16-13(17)7-4-8-14(16)18(20)21-15/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,20,3,5,19,21,7,9,4,8,16,14,10,15,17,12,18,13,11/E:(2,3)(5,6)/rA:21nCCCCCCCCCCOCOCCCCOCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s10;s11;d12;s12;s10s14;d15;s8s16;d17;s16;d19;d14s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H10O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48048 |
Area: | 448.625 |
Solvation: | -2.73514 |
Coulombic: | -29.3663 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 274.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.58 |
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 |
---|