N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperazin-1-ylaniline
Molecular Formula : C17H24N6O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperazin-1-ylaniline is a drug-like molecule.
MolName : N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperazin-1-ylaniline |
MolecularFormula : C17H24N6O2 |
Smiles : [O-][N+](c(ccc(N1CCNCC1)c1)c1N/N=C1\C(CC2)CCN2C1)=O |
InChI : InChI=1S/C17H24N6O2/c24-23(25)17-2-1-14(22-9-5-18-6-10-22)11-15(17)19-20-16-12-21-7-3-13(16)4-8-21/h1-2,11,13,18-19H,3-10,12H2 |
InChIK : VUNVISCHTOJBHH-UHFFFAOYSA-N |
TotalMolweight : 344.418 |
Molweight : 344.418 |
MonoisotopicMass : 344.196074 |
CLogP : -0.7167 |
CLogS : -2.327 |
H Acceptors : 8 |
H Donors : 2 |
TotalSurfaceArea : 259.26 |
Relative PSA : 0.27752 |
PolarSurfaceArea : 88.72 |
Druglikeness : 1.749 |
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 : 3 |
AlkylAmines : 2 |
Aromatic Amines : 1 |
BasicNitrogens : 2 |
AcidicOxygens : 1 |
StereoCon : |