(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-1-(2,3,4-trichlorophenyl)prop-2-en-1-one

Formula:C26H15N2O2Cl3 Mutagenic:low Tumorigenic:low Reproductive Effective:high (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-1-(2,3,4-trichlorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-1-(2,3,4-trichlorophenyl)prop-2-en-1-one
MolecularFormula	C26H15N2O2Cl3
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)c(c(Cl)c1Cl)ccc1Cl
InChI	InChI=1S/C26H15Cl3N2O2/c27-20-12-11-19(24(28)25(20)29)21(32)13-10-17-15-31(18-7-2-1-3-8-18)30-26(17)23-14-16-6-4-5-9-22(16)33-23/h1-15H
InChIK	GPNQUZISZVTCMK-UHFFFAOYSA-N
TotalMolweight	493.776
Molweight	493.776
MonoisotopicMass	492.019909
CLogP	6.5834
CLogS	-8.412
H Acceptors	4
TotalSurfaceArea	355.3
Relative PSA	0.12663
PolarSurfaceArea	48.03
Druglikeness	3.4786
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	polyhalo aromatic ring
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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