ChemDB: Chemical Search
Download
Chemical ID: 4907327
Chemical ID:
4907327
Name [?]:
None
SMILES [?]:
COc1ccc-2c(c1)CCc3c2onc3
InChi [?]:
InChI=1/C12H11NO2/c1-14-10-4-5-11-8(6-10)2-3-9-7-13-15-12(9)11/h4-7H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,4,5,8,15,7,11,3,6,12,14,2,13/rA:15nCOCCCCCCCCCCONC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s6d11;s12;s13;s11d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.69139 |
Area: | 356.929 |
Solvation: | -3.23183 |
Coulombic: | -10.8769 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 201.221 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.18 |
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 |
---|