Chemical ID: 3987167

CCCc1c(c(nn1c2ccc(cc2)Cl)c3ccc(c(c3)O)N(=O)=O)C(=O)O
Chemical ID:
3987167
Name [?]:
1-(4-chlorophenyl)-3-(3-hydroxy-4-nitro-phenyl)-5-propyl-pyrazole-4-carboxylic acid
SMILES [?]:
CCCc1c(c(nn1c2ccc(cc2)Cl)c3ccc(c(c3)O)N(=O)=O)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H16ClN3O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:5.50999
Area:606.988
Solvation:-9.66473
Coulombic:-59.6334
Bond Count [?]
All:30
Single:19
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:401.8
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.36
LogP (Chemaxon):4.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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