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 : none |N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-5-morpholin-4-yl-2-nitroaniline is a drug-like molecule.
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 |
StereoCon : |