N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2,4-dihydroxybenzamide
Molecular Formula : C14H17N3O3 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : |MolName : N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2,4-dihydroxybenzamide |
MolecularFormula : C14H17N3O3 |
Smiles : Oc(cc1)cc(O)c1C(N/N=C1/C(CC2)CCN2C1)=O |
InChI : InChI=1S/C14H17N3O3/c18-10-1-2-11(13(19)7-10)14(20)16-15-12-8-17-5-3-9(12)4-6-17/h1-2,7,9,18-19H,3-6,8H2,(H,16,20) |
InChIK : FJERMFFTEWDWBN-UHFFFAOYSA-N |
TotalMolweight : 275.307 |
Molweight : 275.307 |
MonoisotopicMass : 275.126992 |
CLogP : 1.3386 |
CLogS : -1.88 |
H Acceptors : 6 |
H Donors : 3 |
TotalSurfaceArea : 202.74 |
Relative PSA : 0.32436 |
PolarSurfaceArea : 85.16 |
Druglikeness : 7.7513 |
Mutagenic : high |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : low |
Nasty Functions : acyl-hydrazone |
Shape Index : 0.6 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 4 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 9 |
Symmetricatoms : 2 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |