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C17H23N5O3 N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-5-morpholin-4-yl-2-nitroaniline | Chemryt

N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-5-morpholin-4-yl-2-nitroaniline

Molecular Formula : C17H23N5O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-5-morpholin-4-yl-2-nitroaniline

MolecularFormula : C17H23N5O3

Smiles : [O-][N+](c(ccc(N1CCOCC1)c1)c1N/N=C1\C(CC2)CCN2C1)=O

InChI : InChI=1S/C17H23N5O3/c23-22(24)17-2-1-14(21-7-9-25-10-8-21)11-15(17)18-19-16-12-20-5-3-13(16)4-6-20/h1-2,11,13,18H,3-10,12H2

InChIK : XJFCQZVCTPJZIX-UHFFFAOYSA-N

TotalMolweight : 345.402

Molweight : 345.402

MonoisotopicMass : 345.18009

CLogP : 1.4902

CLogS : -2.463

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 257.8

Relative PSA : 0.27343

PolarSurfaceArea : 85.92

Druglikeness : 0.17382

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.52

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 5

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 13

Symmetricatoms : 4

Amines : 2

AlkylAmines : 1

Aromatic Amines : 1

BasicNitrogens : 1

AcidicOxygens : 1

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