Chemical ID: 3971052

Cc1c(c(nn1c2cccc(c2)Cl)c3ccc(cc3)[N+](=O)[O-])C(=O)O
Chemical ID:
3971052
Name [?]:
1-(3-chlorophenyl)-5-methyl-3-(4-nitrophenyl)-pyrazole-4-carboxylic acid
SMILES [?]:
Cc1c(c(nn1c2cccc(c2)Cl)c3ccc(cc3)[N+](=O)[O-])C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H12ClN3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.00678
Area:557.185
Solvation:-7.92284
Coulombic:-44.7533
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:357.748
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.18
LogP (Chemaxon):3.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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