ChemDB: Chemical Search
Download
Chemical ID: 7245699
Chemical ID:
7245699
Name [?]:
2-amino-5-ethoxy-4-methoxy-benzoic acid
SMILES [?]:
CCOc1cc(c(cc1OC)N)C(=O)O
InChi [?]:
InChI=1/C10H13NO4/c1-3-15-9-4-6(10(12)13)7(11)5-8(9)14-2/h4-5H,3,11H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,11,2,5,8,6,7,9,4,13,12,14,15,10,3/E:(12,13)/rA:15nCCOCCCCCCOCNCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s6;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO4 |
All Atoms: | 28 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.86769 |
Area: | 382.457 |
Solvation: | -4.69373 |
Coulombic: | -57.1042 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.215 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.45 |
LogP (Chemaxon): | 1.27 |
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 |
---|