ChemDB: Chemical Search
Download
Chemical ID: 7655174
Chemical ID:
7655174
Name [?]:
None
SMILES [?]:
COc1cccc2c1[nH]cc2C(=O)O
InChi [?]:
InChI=1/C10H9NO3/c1-14-8-4-2-3-6-7(10(12)13)5-11-9(6)8/h2-5,11H,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,10,7,11,3,8,12,9,13,14,2/E:(12,13)/rA:14nCOCCCCCCNCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NO3 |
All Atoms: | 23 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.75665 |
Area: | 347.993 |
Solvation: | -2.94318 |
Coulombic: | -46.1016 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.62 |
LogP (Chemaxon): | None |
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 |
---|