[(3Z)-3-[(4-bromophenyl)methylidene]-2-piperidin-1-ylcyclopenten-1-yl]-(4-nitrophenyl)methanone

Formula:C24H23N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:low [(3Z)-3-[(4-bromophenyl)methylidene]-2-piperidin-1-ylcyclopenten-1-yl]-(4-nitrophenyl)methanone is a drug-like molecule.

MolName	[(3Z)-3-[(4-bromophenyl)methylidene]-2-piperidin-1-ylcyclopenten-1-yl]-(4-nitrophenyl)methanone
MolecularFormula	C24H23N2O3Br
Smiles	[O-][N+](c(cc1)ccc1C(C(CC/C1=C/c(cc2)ccc2Br)=C1N1CCCCC1)=O)=O
InChI	InChI=1S/C24H23BrN2O3/c25-20-9-4-17(5-10-20)16-19-8-13-22(23(19)26-14-2-1-3-15-26)24(28)18-6-11-21(12-7-18)27(29)30/h4-7,9-12,16H,1-3,8,13-15H2
InChIK	XZEGFSQFNRUSFM-UHFFFAOYSA-N
TotalMolweight	467.362
Molweight	467.362
MonoisotopicMass	466.089204
CLogP	4.8326
CLogS	-6.297
H Acceptors	5
TotalSurfaceArea	320.32
Relative PSA	0.14676
PolarSurfaceArea	66.13
Druglikeness	-4.5794
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	6
AcidicOxygens	1
StereoCon

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