Chemical ID: 3987306

CCc1c(c(nn1c2cccc(c2)C)c3ccc(c(c3)Cl)Cl)C(=O)O
Chemical ID:
3987306
Name [?]:
3-(3,4-dichlorophenyl)-5-ethyl-1-(m-tolyl)pyrazole-4-carboxylic acid
SMILES [?]:
CCc1c(c(nn1c2cccc(c2)C)c3ccc(c(c3)Cl)Cl)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H16Cl2N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.9249
Area:572.654
Solvation:-2.39148
Coulombic:-34.7168
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:375.248
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.72
LogP (Chemaxon):5.49

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