(E)-3-(2-chloro-6-fluorophenyl)-1-pyrazol-1-ylprop-2-en-1-one

Formula:C12H8N2OClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloro-6-fluorophenyl)-1-pyrazol-1-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2-chloro-6-fluorophenyl)-1-pyrazol-1-ylprop-2-en-1-one
MolecularFormula	C12H8N2OClF
Smiles	O=C(/C=C/c(c(F)ccc1)c1Cl)n1nccc1
InChI	InChI=1S/C12H8ClFN2O/c13-10-3-1-4-11(14)9(10)5-6-12(17)16-8-2-7-15-16/h1-8H
InChIK	SJUZOXDWWWRDMW-UHFFFAOYSA-N
TotalMolweight	250.66
Molweight	250.66
MonoisotopicMass	250.030918
CLogP	2.2309
CLogS	-3.393
H Acceptors	3
TotalSurfaceArea	187
Relative PSA	0.16513
PolarSurfaceArea	34.89
Druglikeness	1.2385
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Aromatic Nitrogens	2
StereoCon

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