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

Formula:C22H15N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-nitrophenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-nitrophenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one
MolecularFormula	C22H15N3O3S
Smiles	[O-][N+](c(cc1)ccc1C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)=O)=O
InChI	InChI=1S/C22H15N3O3S/c26-20(16-8-11-19(12-9-16)25(27)28)13-10-17-15-24(18-5-2-1-3-6-18)23-22(17)21-7-4-14-29-21/h1-15H
InChIK	AKSTUMADXPQFBQ-UHFFFAOYSA-N
TotalMolweight	401.445
Molweight	401.445
MonoisotopicMass	401.083412
CLogP	3.3247
CLogS	-5.734
H Acceptors	6
TotalSurfaceArea	304.36
Relative PSA	0.2683
PolarSurfaceArea	108.95
Druglikeness	-0.088619
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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