ChemDB: Chemical Search
Download
Chemical ID: 6648706
Chemical ID:
6648706
Name [?]:
2-(o-tolylamino)acetic acid
SMILES [?]:
Cc1ccccc1NCC(=O)O
InChi [?]:
InChI=1/C9H11NO2/c1-7-4-2-3-5-8(7)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,9,2,7,10,8,11,12/E:(11,12)/rA:12nCCCCCCCNCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.40526 |
Area: | 338.245 |
Solvation: | -2.05088 |
Coulombic: | -39.196 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 165.189 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.28 |
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 |
---|