Chemical ID: 3998042

Cc1ccc(c(c1)C)n2c(c(c(n2)C)C=O)Cl
Chemical ID:
3998042
Name [?]:
5-chloro-1-(2,4-dimethylphenyl)-3-methyl-pyrazole-4-carbaldehyde
SMILES [?]:
Cc1ccc(c(c1)C)n2c(c(c(n2)C)C=O)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H13ClN2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.62461
Area:419.266
Solvation:-2.85703
Coulombic:-12.1364
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:248.708
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.22
LogP (Chemaxon):2.92

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