(Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-thiophen-2-ylprop-2-en-1-one

Formula:C26H18N2OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-thiophen-2-ylprop-2-en-1-one is not a drug-like molecule.

MolName	(Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C26H18N2OS
Smiles	O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2cc1)c1cccs1
InChI	InChI=1S/C26H18N2OS/c29-24(25-11-6-16-30-25)15-14-22-18-28(23-9-2-1-3-10-23)27-26(22)21-13-12-19-7-4-5-8-20(19)17-21/h1-18H
InChIK	METKKAYNPYLKFX-UHFFFAOYSA-N
TotalMolweight	406.508
Molweight	406.508
MonoisotopicMass	406.113983
CLogP	5.2838
CLogS	-6.969
H Acceptors	3
TotalSurfaceArea	315.29
Relative PSA	0.16252
PolarSurfaceArea	63.13
Druglikeness	5.2182
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	4
Electronegative Atoms	4
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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