2-[4-[3-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)hydrazinyl]-4-nitrophenyl]piperazin-1-yl]ethanol

Formula:C19H28N6O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[3-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)hydrazinyl]-4-nitrophenyl]piperazin-1-yl]ethanol is a drug-like molecule.

MolName	2-[4-[3-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)hydrazinyl]-4-nitrophenyl]piperazin-1-yl]ethanol
MolecularFormula	C19H28N6O3
Smiles	[O-][N+](c(ccc(N1CCN(CCO)CC1)c1)c1N/N=C1\C(CC2)CCN2C1)=O
InChI	InChI=1S/C19H28N6O3/c26-12-11-22-7-9-24(10-8-22)16-1-2-19(25(27)28)17(13-16)20-21-18-14-23-5-3-15(18)4-6-23/h1-2,13,15,20,26H,3-12,14H2
InChIK	CLTLMDNFZLYZRT-UHFFFAOYSA-N
TotalMolweight	388.47
Molweight	388.47
MonoisotopicMass	388.222289
CLogP	0.1527
CLogS	-1.758
H Acceptors	9
H Donors	2
TotalSurfaceArea	291.97
Relative PSA	0.26421
PolarSurfaceArea	100.16
Druglikeness	4.4518
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	16
Symmetricatoms	4
Amines	3
AlkylAmines	2
Aromatic Amines	1
BasicNitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[4-[3-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)hydrazinyl]-4-nitrophenyl]piperazin-1-yl]ethanol | 2 - 2-[4-[3-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)hydrazinyl]-4-nitrophenyl]piperazin-1-yl]ethanol

Request More Details | 2-[4-[3-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)hydrazinyl]-4-nitrophenyl]piperazin-1-yl]ethanol

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments