Chem 4 Fluoro 2 1h Pyrazol 3 Yl Phenol Ncc

Compound 108
  CheckMol                        TMF02:r0:m0
MF=C9H7FN2O MW=178.17
 13 14  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4921   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3263   -2.2263   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2789   -2.2381   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3381   -3.7184   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2671   -3.7302   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4644   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6526   -4.4644   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0592   -5.9565   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0381   -3.8368   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.8184   -5.9447   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0565   -4.9381   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -4.2986   -6.2407   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10 02  0  1  0  0
  8 11 01  0  1  0  0
 10 12 01  0  1  0  0
 11 13 02  0  1  0  0
  6  7 01  0  1  0  0
 12 13 01  0  1  0  0
M  END

4-fluoro-2-(1h-pyrazol-3-yl) phenol

₹ 0.00 0.00

Chemical Name - 4-fluoro-2-(1h-pyrazol-3-yl) phenol
Mol Weight - 178.166
Smiles - Oc(ccc(F)c1)c1-c1n[nH]cc1
InChI - QKAHKTLLEHWJPY-UHFFFAOYSA-N
InChIKey - InChI=1S/C9H7FN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)

Property Name	Property Value
Mol Name	4-fluoro-2-(1h-pyrazol-3-yl) phenol
Molweight	178.166
Monoisotopic Mass	178.054241
Clogp	1.0585
Clogs	-1.985
H Acceptors	3
H Donors	2
Total Surface Area	134.05
Relative Psa	0.28392
Polar Surface Area	48.91
Druglikeness	-0.14272
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Shape Index	0.53846
Molecular Flexibility	0.3331
Molecular Complexity	0.69646
Fragments	1
Non H Atoms	13
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	1
Aromatic Nitrogens	2
Smiles	Oc(ccc(F)c1)c1-c1n[nH]cc1
InChIKey	InChI=1S/C9H7FN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
InChI	QKAHKTLLEHWJPY-UHFFFAOYSA-N

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1 - 4-fluoro-2-(1h-pyrazol-3-yl) phenol
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4-fluoro-2-(1h-pyrazol-3-yl) phenol