[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Formula:C28H21N2O4Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate is not a drug-like molecule.

MolName	[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
MolecularFormula	C28H21N2O4Br
Smiles	O=C(COC(/C=C/c(o1)ccc1Br)=O)N(C(C1)c2ccccc2)N=C1c1cc2ccccc2cc1
InChI	InChI=1S/C28H21BrN2O4/c29-26-14-12-23(35-26)13-15-28(33)34-18-27(32)31-25(20-7-2-1-3-8-20)17-24(30-31)22-11-10-19-6-4-5-9-21(19)16-22/h1-16,25H,17-18H2/t25-/m0/s1
InChIK	ROKDXZWPTOCUNK-VWLOTQADSA-N
TotalMolweight	529.389
Molweight	529.389
MonoisotopicMass	528.068469
CLogP	5.765
CLogS	-6.944
H Acceptors	6
TotalSurfaceArea	367.49
Relative PSA	0.17756
PolarSurfaceArea	72.11
Druglikeness	-0.096071
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
StereoCon	racemate

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1 - [2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate | 2 - [2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

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