MolName : 4-amino-N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]benzamide |
MolecularFormula : C14H18N4O |
Smiles : Nc(cc1)ccc1C(N/N=C1/C(CC2)CCN2C1)=O |
InChI : InChI=1S/C14H18N4O/c15-12-3-1-11(2-4-12)14(19)17-16-13-9-18-7-5-10(13)6-8-18/h1-4,10H,5-9,15H2,(H,17,19) |
InChIK : FDBMFLGFIYCHQP-UHFFFAOYSA-N |
TotalMolweight : 258.324 |
Molweight : 258.324 |
MonoisotopicMass : 258.148061 |
CLogP : 1.3527 |
CLogS : -2.548 |
H Acceptors : 5 |
H Donors : 2 |
TotalSurfaceArea : 198.56 |
Relative PSA : 0.27614 |
PolarSurfaceArea : 70.72 |
Druglikeness : 7.7283 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone |
Shape Index : 0.63158 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 4 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 7 |
Symmetricatoms : 4 |
Amines : 2 |
AlkylAmines : 1 |
Aromatic Amines : 1 |
BasicNitrogens : 1 |
StereoCon : |