Chemical ID: 4135811

c1ccc(c(c1)n2c(cc(n2)c3ccc(cc3)F)C(=O)O)F
Chemical ID:
4135811
Name [?]:
2-(2-fluorophenyl)-5-(4-fluorophenyl)-pyrazole-3-carboxylic acid
SMILES [?]:
c1ccc(c(c1)n2c(cc(n2)c3ccc(cc3)F)C(=O)O)F
InChi [?]:
InChI=1/C16H10F2N2O2/c17-11-7-5-10(6-8-11)13-9-15(16(21)22)20(19-13)14-4-2-1-3-12(14)18/h1-9H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,13,17,14,16,9,12,15,4,10,5,8,19,18,22,11,7,20,21/E:(5,6)(7,8)(21,22)/rA:22nCCCCCCNCCCNCCCCCCFCOOF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s7d10;s10;s12;d13;s14;d15;d12s16;s15;s8;d19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10F2N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.23796
Area:461.786
Solvation:-4.3067
Coulombic:-41.8378
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:300.26
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.97
LogP (Chemaxon):3.64

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Descriptor Annotations

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