ChemDB: Chemical Search
Download
Chemical ID: 7681507
Chemical ID:
7681507
Name [?]:
None
SMILES [?]:
Cc1cc(n(n1)c2cccc(c2)C(=O)O)O
InChi [?]:
InChI=1/C11H10N2O3/c1-7-5-10(14)13(12-7)9-4-2-3-8(6-9)11(15)16/h2-6,14H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,9,10,8,3,12,2,11,7,4,13,6,5,16,14,15/E:(15,16)/rA:16nCCCCNNCCCCCCCOOO/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s11;d13;s13;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.89173 |
Area: | 392.452 |
Solvation: | -2.91957 |
Coulombic: | -48.63 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.01 |
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 |
---|