(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one

Formula:C28H18N2O2ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one
MolecularFormula	C28H18N2O2ClF
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl)c1ccc(-c(cc2)ccc2F)o1
InChI	InChI=1S/C28H18ClFN2O2/c29-22-11-6-20(7-12-22)28-21(18-32(31-28)24-4-2-1-3-5-24)10-15-25(33)27-17-16-26(34-27)19-8-13-23(30)14-9-19/h1-18H
InChIK	FNSPNVKOQFIFLL-UHFFFAOYSA-N
TotalMolweight	468.914
Molweight	468.914
MonoisotopicMass	468.104083
CLogP	5.8685
CLogS	-7.863
H Acceptors	4
TotalSurfaceArea	355.97
Relative PSA	0.12639
PolarSurfaceArea	48.03
Druglikeness	3.3417
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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