ChemDB: Chemical Search
Download
Chemical ID: 4345741
Chemical ID:
4345741
Name [?]:
5-hydroxy-2-(2-methylpropanoylamino)benzoic acid
SMILES [?]:
CC(C)C(=O)Nc1ccc(cc1C(=O)O)O
InChi [?]:
InChI=1/C11H13NO4/c1-6(2)10(14)12-9-4-3-7(13)5-8(9)11(15)16/h3-6,13H,1-2H3,(H,12,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,9,8,11,2,10,12,7,4,13,6,16,5,14,15/E:(1,2)(15,16)/rA:16nCCCCONCCCCCCCOOO/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;d13;s13;s10;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.89786 |
Area: | 396.641 |
Solvation: | -3.01818 |
Coulombic: | -63.1337 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 223.225 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.25 |
LogP (Chemaxon): | 2.44 |
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 |
---|