ChemDB: Chemical Search
Download
Chemical ID: 6914386
Chemical ID:
6914386
Name [?]:
2-hydroxy-3-methyl-8-oxa-4-azabicyclo[4.3.0]nona-1,3,5-trien-9-one
SMILES [?]:
Cc1c(c2c(cn1)COC2=O)O
InChi [?]:
InChI=1/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,8,2,5,4,3,10,7,12,11,9/rA:12nCCCCCCNCOCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s4s9;d10;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7NO3 |
All Atoms: | 19 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.96738 |
Area: | 305.365 |
Solvation: | -3.66674 |
Coulombic: | -37.954 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 165.146 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.3 |
LogP (Chemaxon): | 0.55 |
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 |
---|