Chemical ID: 4135770

Cc1ccc(cc1)c2cc(n(n2)c3ccc(cc3F)F)C(=O)O
Chemical ID:
4135770
Name [?]:
2-(2,4-difluorophenyl)-5-(p-tolyl)pyrazole-3-carboxylic acid
SMILES [?]:
Cc1ccc(cc1)c2cc(n(n2)c3ccc(cc3F)F)C(=O)O
InChi [?]:
InChI=1/C17H12F2N2O2/c1-10-2-4-11(5-3-10)14-9-16(17(22)23)21(20-14)15-7-6-12(18)8-13(15)19/h2-9H,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,15,14,17,9,2,5,16,18,8,13,10,21,20,19,12,11,22,23/E:(2,3)(4,5)(22,23)/rA:23nCCCCCCCCCCNNCCCCCCFFCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s11;s13;d14;s15;d16;d13s17;s18;s16;s10;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12F2N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.90746
Area:483.161
Solvation:-4.17156
Coulombic:-40.8277
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:314.286
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.41
LogP (Chemaxon):4.11

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