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

Formula:C22H15N2OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C22H15N2OBrS
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1Br)c1cccs1
InChI	InChI=1S/C22H15BrN2OS/c23-18-11-8-16(9-12-18)22-17(10-13-20(26)21-7-4-14-27-21)15-25(24-22)19-5-2-1-3-6-19/h1-15H
InChIK	BBKYVZZVKUFMFO-UHFFFAOYSA-N
TotalMolweight	435.344
Molweight	435.344
MonoisotopicMass	434.008844
CLogP	4.8146
CLogS	-6.197
H Acceptors	3
TotalSurfaceArea	299.32
Relative PSA	0.17119
PolarSurfaceArea	63.13
Druglikeness	3.4282
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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