MolName : N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]thiophene-2-carboxamide |
MolecularFormula : C12H15N3OS |
Smiles : O=C(c1cccs1)N/N=C1/C(CC2)CCN2C1 |
InChI : InChI=1S/C12H15N3OS/c16-12(11-2-1-7-17-11)14-13-10-8-15-5-3-9(10)4-6-15/h1-2,7,9H,3-6,8H2,(H,14,16) |
InChIK : NNDWAKPATRPAGY-UHFFFAOYSA-N |
TotalMolweight : 249.337 |
Molweight : 249.337 |
MonoisotopicMass : 249.093582 |
CLogP : 1.8966 |
CLogS : -2.482 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 185.98 |
Relative PSA : 0.32219 |
PolarSurfaceArea : 72.94 |
Druglikeness : 9.2093 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone |
Shape Index : 0.58824 |
Fragments : 1 |
Non HAtoms : 17 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 4 |
Aromatic Rings : 1 |
Aromatic Atoms : 5 |
Sp3Atoms : 7 |
Symmetricatoms : 2 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |