(E)-1-(4-bromophenyl)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-en-1-one

Formula:C30H23N2OBr Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-1-(4-bromophenyl)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(4-bromophenyl)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-en-1-one
MolecularFormula	C30H23N2OBr
Smiles	O=C(/C=C/c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1)c(cc1)ccc1Br
InChI	InChI=1S/C30H23BrN2O/c31-26-16-14-25(15-17-26)30(34)20-13-22-11-18-27(19-12-22)33-29(24-9-5-2-6-10-24)21-28(32-33)23-7-3-1-4-8-23/h1-20,29H,21H2/t29-/m0/s1
InChIK	WYAKBAYCEZKLNX-LJAQVGFWSA-N
TotalMolweight	507.43
Molweight	507.43
MonoisotopicMass	506.099374
CLogP	7.4914
CLogS	-7.607
H Acceptors	3
TotalSurfaceArea	361.45
Relative PSA	0.077742
PolarSurfaceArea	32.67
Druglikeness	1.7496
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	8
StereoCon	racemate

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