(E)-1-(4-phenylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one

Formula:C28H20N2OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-phenylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(4-phenylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one
MolecularFormula	C28H20N2OS
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c(cc1)ccc1-c1ccccc1
InChI	InChI=1S/C28H20N2OS/c31-26(23-15-13-22(14-16-23)21-8-3-1-4-9-21)18-17-24-20-30(25-10-5-2-6-11-25)29-28(24)27-12-7-19-32-27/h1-20H
InChIK	YLRDWQFHZSNJRS-UHFFFAOYSA-N
TotalMolweight	432.546
Molweight	432.546
MonoisotopicMass	432.129633
CLogP	5.9055
CLogS	-7.36
H Acceptors	3
TotalSurfaceArea	340.45
Relative PSA	0.15051
PolarSurfaceArea	63.13
Druglikeness	4.9868
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	4
Electronegative Atoms	4
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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