ChemDB: Chemical Search
Download
Chemical ID: 7171946
Chemical ID:
7171946
Name [?]:
2-(3,4-difluorophenyl)amino-2-oxo-acetic acid
SMILES [?]:
c1cc(c(cc1NC(=O)C(=O)O)F)F
InChi [?]:
InChI=1/C8H5F2NO3/c9-5-2-1-4(3-6(5)10)11-7(12)8(13)14/h1-3H,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,8,10,14,13,7,9,11,12/E:(13,14)/rA:14nCCCCCCNCOCOOFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;d10;s10;s4;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H5F2NO3 |
All Atoms: | 19 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.60176 |
Area: | 340.746 |
Solvation: | -3.9169 |
Coulombic: | -58.2042 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 201.127 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.99 |
LogP (Chemaxon): | 1.58 |
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 |
---|