(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one

Formula:C21H21N3OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one
MolecularFormula	C21H21N3OS
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCCCC1
InChI	InChI=1S/C21H21N3OS/c25-20(23-13-5-2-6-14-23)12-11-17-16-24(18-8-3-1-4-9-18)22-21(17)19-10-7-15-26-19/h1,3-4,7-12,15-16H,2,5-6,13-14H2
InChIK	UGEIHRDMFUOLRN-UHFFFAOYSA-N
TotalMolweight	363.484
Molweight	363.484
MonoisotopicMass	363.140532
CLogP	3.7696
CLogS	-4.019
H Acceptors	4
TotalSurfaceArea	286.53
Relative PSA	0.19122
PolarSurfaceArea	66.37
Druglikeness	3.5956
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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