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C19H28N6O3 2-[4-[3-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)hydrazinyl]-4-nitrophenyl]piperazin-1-yl]ethanol | Chemryt

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

Molecular Formula : C19H28N6O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

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