Chemical ID: 4325329

c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)Br)C(=O)O
Chemical ID:
4325329
Name [?]:
3-(4-bromophenyl)-1-phenyl-pyrazole-4-carboxylic acid
SMILES [?]:
c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)Br)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H11BrN2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.63028
Area:482.921
Solvation:-2.44275
Coulombic:-34.1924
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:343.175
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.35
LogP (Chemaxon):4.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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