N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-4-hydroxybenzamide
Molecular Formula : C14H17N3O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-4-hydroxybenzamide is a drug-like molecule.
MolName : N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-4-hydroxybenzamide |
MolecularFormula : C14H17N3O2 |
Smiles : Oc(cc1)ccc1C(N/N=C1/C(CC2)CCN2C1)=O |
InChI : InChI=1S/C14H17N3O2/c18-12-3-1-11(2-4-12)14(19)16-15-13-9-17-7-5-10(13)6-8-17/h1-4,10,18H,5-9H2,(H,16,19) |
InChIK : HUFGMLLWTSWEHV-UHFFFAOYSA-N |
TotalMolweight : 259.308 |
Molweight : 259.308 |
MonoisotopicMass : 259.132077 |
CLogP : 1.6843 |
CLogS : -2.176 |
H Acceptors : 5 |
H Donors : 2 |
TotalSurfaceArea : 196.39 |
Relative PSA : 0.26814 |
PolarSurfaceArea : 64.93 |
Druglikeness : 7.7513 |
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 : 8 |
Symmetricatoms : 4 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |