ChemDB: Chemical Search
Download
Chemical ID: 7245512
Chemical ID:
7245512
Name [?]:
10-amino-2,6-dioxabicyclo[5.4.0]undeca-7,9,11-triene-9-carboxylic acid
SMILES [?]:
c1c(c(cc2c1OCCCO2)N)C(=O)O
InChi [?]:
InChI=1/C10H11NO4/c11-7-5-9-8(4-6(7)10(12)13)14-2-1-3-15-9/h4-5H,1-3,11H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:9,8,10,1,4,2,3,6,5,13,12,14,15,7,11/E:(12,13)/rA:15nCCCCCCOCCCONCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s5s10;s3;s2;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO4 |
All Atoms: | 26 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.90887 |
Area: | 356.083 |
Solvation: | -3.9932 |
Coulombic: | -57.7977 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 209.199 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.44 |
LogP (Chemaxon): | 0.8 |
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 |
---|