ChemDB: Chemical Search
Download
Chemical ID: 7159876
Chemical ID:
7159876
Name [?]:
2-(carbamoylmethoxy)-3-ethoxy-benzoic acid
SMILES [?]:
CCOc1cccc(c1OCC(=O)N)C(=O)O
InChi [?]:
InChI=1/C11H13NO5/c1-2-16-8-5-3-4-7(11(14)15)10(8)17-6-9(12)13/h3-5H,2,6H2,1H3,(H2,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,11,8,4,12,9,15,14,13,16,17,3,10/E:(14,15)/rA:17nCCOCCCCCCOCCONCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s8;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO5 |
All Atoms: | 30 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.01645 |
Area: | 417.195 |
Solvation: | -6.41341 |
Coulombic: | -65.8672 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 239.225 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 0.28 |
LogP (Chemaxon): | 0.08 |
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 |
---|