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

Formula:C30H22N2OBr2 Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-1-(4-bromophenyl)-3-[4-[3-(4-bromophenyl)-5-phenyl-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-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]prop-2-en-1-one
MolecularFormula	C30H22N2OBr2
Smiles	O=C(/C=C/c(cc1)ccc1N(C(C1)c(cc2)ccc2Br)N=C1c1ccccc1)c(cc1)ccc1Br
InChI	InChI=1S/C30H22Br2N2O/c31-25-13-9-23(10-14-25)29-20-28(22-4-2-1-3-5-22)33-34(29)27-17-6-21(7-18-27)8-19-30(35)24-11-15-26(32)16-12-24/h1-19,29H,20H2/t29-/m0/s1
InChIK	NTSRDDMOCUGWLB-LJAQVGFWSA-N
TotalMolweight	586.326
Molweight	586.326
MonoisotopicMass	584.009885
CLogP	8.2166
CLogS	-8.441
H Acceptors	3
TotalSurfaceArea	380.08
Relative PSA	0.073932
PolarSurfaceArea	32.67
Druglikeness	1.7496
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	5
Electronegative Atoms	5
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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1 - (E)-1-(4-bromophenyl)-3-[4-[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]prop-2-en-1-one | 2 - (E)-1-(4-bromophenyl)-3-[4-[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]prop-2-en-1-one

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