ChemDB: Chemical Search
Download
Chemical ID: 7078605
Chemical ID:
7078605
Name [?]:
None
SMILES [?]:
Cn1c2ccccc2c(c-3c(nc(=O)nc13)O)C(=O)O
InChi [?]:
InChI=1/C13H9N3O4/c1-16-7-5-3-2-4-6(7)8(12(18)19)9-10(16)14-13(20)15-11(9)17/h2-5H,1H3,(H,18,19)(H,15,17,20)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,8,3,9,10,16,11,18,13,15,12,2,17,19,20,14/E:(18,19)/rA:20nCNCCCCCCCCCNCONCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;d11;s12;d13;s13;s2s10d15;s11;s9;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9N3O4 |
All Atoms: | 29 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.19616 |
Area: | 412.499 |
Solvation: | -3.11632 |
Coulombic: | -73.3998 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.79 |
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 |
---|