(E)-1-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one

Formula:C21H17N4O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one
MolecularFormula	C21H17N4O4Br
Smiles	[O-][N+](c1ccc(/C=C/C(N(CCC2)C2c2nc(-c(cc3)ccc3Br)no2)=O)cc1)=O
InChI	InChI=1S/C21H17BrN4O4/c22-16-8-6-15(7-9-16)20-23-21(30-24-20)18-2-1-13-25(18)19(27)12-5-14-3-10-17(11-4-14)26(28)29/h3-12,18H,1-2,13H2/t18-/m0/s1
InChIK	GGUITIYAEBUALR-SFHVURJKSA-N
TotalMolweight	469.294
Molweight	469.294
MonoisotopicMass	468.043317
CLogP	3.624
CLogS	-5.606
H Acceptors	8
TotalSurfaceArea	317.12
Relative PSA	0.26192
PolarSurfaceArea	105.05
Druglikeness	-2.9784
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon	racemate

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1 - (E)-1-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one | 2 - (E)-1-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one

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