Chemical ID: 4135801

c1cc(ccc1c2cc(n(n2)c3ccc(cc3F)F)C(=O)O)Br
Chemical ID:
4135801
Name [?]:
5-(4-bromophenyl)-2-(2,4-difluorophenyl)-pyrazole-3-carboxylic acid
SMILES [?]:
c1cc(ccc1c2cc(n(n2)c3ccc(cc3F)F)C(=O)O)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H9BrF2N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.15735
Area:491.983
Solvation:-4.14223
Coulombic:-40.7942
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:379.156
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.77
LogP (Chemaxon):4.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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