Chemical ID: 4708261

c1ccc(c(c1)c2cc(nn2c3ccc(cc3)F)C(=O)O)Cl
Chemical ID:
4708261
Name [?]:
5-(2-chlorophenyl)-1-(4-fluorophenyl)-pyrazole-3-carboxylic acid
SMILES [?]:
c1ccc(c(c1)c2cc(nn2c3ccc(cc3)F)C(=O)O)Cl
InChi [?]:
InChI=1/C16H10ClFN2O2/c17-13-4-2-1-3-12(13)15-9-14(16(21)22)19-20(15)11-7-5-10(18)6-8-11/h1-9H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,16,13,17,8,15,12,5,4,9,7,19,22,18,10,11,20,21/E:(5,6)(7,8)(21,22)/rA:22nCCCCCCCCCNNCCCCCCFCOOCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10ClFN2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.75147
Area:475.76
Solvation:-3.14253
Coulombic:-38.8378
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:316.714
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.43
LogP (Chemaxon):4.02

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