(E)-1-(4-fluorophenyl)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one

Formula:C24H16N3O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-fluorophenyl)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-fluorophenyl)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
MolecularFormula	C24H16N3O3F
Smiles	[O-][N+](c1cccc(-c(c(/C=C/C(c(cc2)ccc2F)=O)c2)nn2-c2ccccc2)c1)=O
InChI	InChI=1S/C24H16FN3O3/c25-20-12-9-17(10-13-20)23(29)14-11-19-16-27(21-6-2-1-3-7-21)26-24(19)18-5-4-8-22(15-18)28(30)31/h1-16H
InChIK	CFICBWBLLFTEPM-UHFFFAOYSA-N
TotalMolweight	413.407
Molweight	413.407
MonoisotopicMass	413.11757
CLogP	3.402
CLogS	-6.127
H Acceptors	6
TotalSurfaceArea	314.77
Relative PSA	0.19475
PolarSurfaceArea	80.71
Druglikeness	-3.0931
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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