N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-5-chloro-2-nitroaniline
Molecular Formula : C13H15N4O2Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-5-chloro-2-nitroaniline is a drug-like molecule.
MolName : N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-5-chloro-2-nitroaniline |
MolecularFormula : C13H15N4O2Cl |
Smiles : [O-][N+](c(ccc(Cl)c1)c1N/N=C1\C(CC2)CCN2C1)=O |
InChI : InChI=1S/C13H15ClN4O2/c14-10-1-2-13(18(19)20)11(7-10)15-16-12-8-17-5-3-9(12)4-6-17/h1-2,7,9,15H,3-6,8H2 |
InChIK : JNQKZZZMNICXNC-UHFFFAOYSA-N |
TotalMolweight : 294.741 |
Molweight : 294.741 |
MonoisotopicMass : 294.088353 |
CLogP : 2.4272 |
CLogS : -3.096 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 211.38 |
Relative PSA : 0.26937 |
PolarSurfaceArea : 73.45 |
Druglikeness : 1.2317 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.5 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 4 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 8 |
Symmetricatoms : 2 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : |