3-[(Z)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenol
Molecular Formula : C22H24N3O | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |3-[(Z)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenol is a drug-like molecule.
MolName : 3-[(Z)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenol |
MolecularFormula : C22H24N3O |
Smiles : Oc1cc(/C=N\N2CC[NH+](Cc3cccc4ccccc34)CC2)ccc1 |
InChI : InChI=1S/C22H23N3O/c26-21-9-3-5-18(15-21)16-23-25-13-11-24(12-14-25)17-20-8-4-7-19-6-1-2-10-22(19)20/h1-10,15-16,26H,11-14,17H2/p+1 |
InChIK : HFYHXGPEAQCWAB-UHFFFAOYSA-O |
TotalMolweight : 346.453 |
Molweight : 346.453 |
MonoisotopicMass : 346.191937 |
CLogP : 1.758 |
CLogS : -3.966 |
H Acceptors : 4 |
H Donors : 2 |
TotalSurfaceArea : 288.67 |
Relative PSA : 0.15849 |
PolarSurfaceArea : 40.27 |
Druglikeness : 3.6865 |
Mutagenic : none |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.61538 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 16 |
Sp3Atoms : 8 |
Symmetricatoms : 2 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |