ChemDB: Chemical Search
Download
Chemical ID: 6049496
Chemical ID:
6049496
Name [?]:
amino-(2-fluoro-4-hydroxy-phenyl)-methanone oxime
SMILES [?]:
c1cc(c(cc1O)F)C(=NO)N
InChi [?]:
InChI=1/C7H7FN2O2/c8-6-3-4(11)1-2-5(6)7(9)10-12/h1-3,11-12H,(H2,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,9,8,12,10,7,11/rA:12nCCCCCCOFCNON/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;w9;s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H7FN2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.61057 |
Area: | 314.965 |
Solvation: | -3.26356 |
Coulombic: | -49.2636 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 170.141 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 1.22 |
LogP (Chemaxon): | 0.69 |
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 |
---|