Chemical ID: 3987057

CCc1c(c(nn1c2ccc(c(c2)C)C)c3cc(cc(c3)Cl)Cl)C(=O)O
Chemical ID:
3987057
Name [?]:
3-(3,5-dichlorophenyl)-1-(3,4-dimethylphenyl)-5-ethyl-pyrazole-4-carboxylic acid
SMILES [?]:
CCc1c(c(nn1c2ccc(c(c2)C)C)c3cc(cc(c3)Cl)Cl)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18Cl2N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.5776
Area:595.911
Solvation:-2.32019
Coulombic:-34.2195
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:389.275
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.16
LogP (Chemaxon):5.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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