ChemDB: Chemical Search
Download
Chemical ID: 6049043
Chemical ID:
6049043
Name [?]:
amino-(3-chloro-2-methyl-phenyl)-methanone oxime
SMILES [?]:
Cc1c(cccc1Cl)C(=NO)N
InChi [?]:
InChI=1/C8H9ClN2O/c1-5-6(8(10)11-12)3-2-4-7(5)9/h2-4,12H,1H3,(H2,10,11)
InChi Info:
AuxInfo=1/1/N:1,5,4,6,2,3,7,9,8,12,10,11/rA:12nCCCCCCCClCNON/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;w9;s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H9ClN2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.84899 |
Area: | 337.615 |
Solvation: | -1.59138 |
Coulombic: | -31.6356 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 184.623 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.32 |
LogP (Chemaxon): | 1.82 |
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 |
---|