4-(4-bromophenyl)-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol

Formula:C20H21N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-(4-bromophenyl)-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol is a drug-like molecule.

MolName	4-(4-bromophenyl)-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol
MolecularFormula	C20H21N2O3Br
Smiles	[O-][N+](c1c(/C=C/CN(CC2)CCC2(c(cc2)ccc2Br)O)cccc1)=O
InChI	InChI=1S/C20H21BrN2O3/c21-18-9-7-17(8-10-18)20(24)11-14-22(15-12-20)13-3-5-16-4-1-2-6-19(16)23(25)26/h1-10,24H,11-15H2
InChIK	NHEGMVLIJCVRIT-UHFFFAOYSA-N
TotalMolweight	417.302
Molweight	417.302
MonoisotopicMass	416.073554
CLogP	2.7858
CLogS	-4.628
H Acceptors	5
H Donors	1
TotalSurfaceArea	284.18
Relative PSA	0.16563
PolarSurfaceArea	69.29
Druglikeness	0.41362
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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