Chemical ID: 6503373

CC(C)(C)C(=O)C(n1c[nH+]cn1)Oc2ccc(cc2)Cl
Chemical ID:
6503373
Name [?]:
1-(4-chlorophenoxy)-1-(1,2-diaza-4-azoniacyclopenta-2,4-dien-1-yl)-3,3-dimethyl-butan-2-one
SMILES [?]:
CC(C)(C)C(=O)C(n1c[nH+]cn1)Oc2ccc(cc2)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H17ClN3O2+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:-29.6329
Area:471.181
Solvation:-41.4124
Coulombic:-9.23459
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:294.757
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.16
LogP (Chemaxon):4.07

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue