Chemical ID: 4135805

c1cc(ccc1c2cc(n(n2)c3ccc(cc3)Cl)C(=O)O)F
Chemical ID:
4135805
Name [?]:
2-(4-chlorophenyl)-5-(4-fluorophenyl)-pyrazole-3-carboxylic acid
SMILES [?]:
c1cc(ccc1c2cc(n(n2)c3ccc(cc3)Cl)C(=O)O)F
InChi [?]:
InChI=1/C16H10ClFN2O2/c17-11-3-7-13(8-4-11)20-15(16(21)22)9-14(19-20)10-1-5-12(18)6-2-10/h1-9H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,14,16,2,4,13,17,8,6,15,3,12,7,9,19,18,22,11,10,20,21/E:(1,2)(3,4)(5,6)(7,8)(21,22)/rA:22nCCCCCCCCCNNCCCCCCClCOOF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10ClFN2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.05353
Area:490.746
Solvation:-3.21511
Coulombic:-38.442
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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