Chemical ID: 3987165

CCCc1c(c(nn1c2ccc(c(c2)C)C)c3ccc(c(c3)O)N(=O)=O)C(=O)O
Chemical ID:
3987165
Name [?]:
1-(3,4-dimethylphenyl)-3-(3-hydroxy-4-nitro-phenyl)-5-propyl-pyrazole-4-carboxylic acid
SMILES [?]:
CCCc1c(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:C21H21N3O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:5.72666
Area:616.716
Solvation:-9.69125
Coulombic:-59.2696
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.409
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.62
LogP (Chemaxon):5.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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