Chemical ID: 3987048

CCc1c(c(nn1c2cccc(c2)C)c3ccc(c(c3)O)N(=O)=O)C(=O)O
Chemical ID:
3987048
Name [?]:
5-ethyl-3-(3-hydroxy-4-nitro-phenyl)-1-(m-tolyl)pyrazole-4-carboxylic acid
SMILES [?]:
CCc1c(c(nn1c2cccc(c2)C)c3ccc(c(c3)O)N(=O)=O)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17N3O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:4.52466
Area:569.507
Solvation:-9.71301
Coulombic:-59.1673
Bond Count [?]
All:29
Single:18
Double:11
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:367.355
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.61
LogP (Chemaxon):4.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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