(Z)-1-(4-bromophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one

Formula:C24H16N2OBrF Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(4-bromophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(Z)-1-(4-bromophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
MolecularFormula	C24H16N2OBrF
Smiles	O=C(/C=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)c(cc1)ccc1Br
InChI	InChI=1S/C24H16BrFN2O/c25-20-11-6-17(7-12-20)23(29)15-10-19-16-28(22-4-2-1-3-5-22)27-24(19)18-8-13-21(26)14-9-18/h1-16H
InChIK	MRZUPLUCUZMNJK-UHFFFAOYSA-N
TotalMolweight	447.306
Molweight	447.306
MonoisotopicMass	446.043002
CLogP	5.0488
CLogS	-6.501
H Acceptors	3
TotalSurfaceArea	309.73
Relative PSA	0.0997
PolarSurfaceArea	34.89
Druglikeness	0.24234
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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