Chemical ID: 4725466

CC1(CC(=O)C(C(=O)C1)C=Nc2ccccc2)C
Chemical ID:
4725466
Name [?]:
5,5-dimethyl-2-(phenyliminomethyl)cyclohexane-1,3-dione
SMILES [?]:
CC1(CC(=O)C(C(=O)C1)C=Nc2ccccc2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H17NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.90942
Area:419.79
Solvation:-3.58532
Coulombic:-19.2706
Bond Count [?]
All:19
Single:13
Double:6
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:243.301
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.98
LogP (Chemaxon):3.81

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