(E)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-1-thiophen-2-ylprop-2-en-1-one

Formula:C22H15N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-1-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C22H15N3O3S
Smiles	[O-][N+](c1cccc(-c(c(/C=C/C(c2cccs2)=O)c2)nn2-c2ccccc2)c1)=O
InChI	InChI=1S/C22H15N3O3S/c26-20(21-10-5-13-29-21)12-11-17-15-24(18-7-2-1-3-8-18)23-22(17)16-6-4-9-19(14-16)25(27)28/h1-15H
InChIK	BPAQCLKTIICBHJ-UHFFFAOYSA-N
TotalMolweight	401.445
Molweight	401.445
MonoisotopicMass	401.083412
CLogP	3.1678
CLogS	-5.823
H Acceptors	6
TotalSurfaceArea	304.36
Relative PSA	0.2683
PolarSurfaceArea	108.95
Druglikeness	0.15463
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44828
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	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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