Chemical ID: 3987043

CCc1c(c(nn1c2ccc(c(c2)C)C)c3ccc(c(c3)O)N(=O)=O)C(=O)O
Chemical ID:
3987043
Name [?]:
1-(3,4-dimethylphenyl)-5-ethyl-3-(3-hydroxy-4-nitro-phenyl)-pyrazole-4-carboxylic acid
SMILES [?]:
CCc1c(c(nn1c2ccc(c(c2)C)C)c3ccc(c(c3)O)N(=O)=O)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19N3O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:4.99058
Area:588.63
Solvation:-9.72518
Coulombic:-58.9243
Bond Count [?]
All:30
Single:19
Double:11
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.382
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.05
LogP (Chemaxon):4.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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