ChemDB: Chemical Search
Download
Chemical ID: 4908040
Chemical ID:
4908040
Name [?]:
None
SMILES [?]:
CC12CC(C(=O)c3c1cccc3)OC2=O
InChi [?]:
InChI=1/C12H10O3/c1-12-6-9(15-11(12)14)10(13)7-4-2-3-5-8(7)12/h2-5,9H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,3,7,8,4,5,14,2,6,15,13/rA:15cCCCCCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s5;s2s7;d8;s9;d10;d7s11;s4;s2s13;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.39381 |
Area: | 342.807 |
Solvation: | -3.17638 |
Coulombic: | -26.9534 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 202.206 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.82 |
LogP (Chemaxon): | 1.66 |
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 |
---|