(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-naphthalen-1-ylmethanimine
Molecular Formula : C22H24N3 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-naphthalen-1-ylmethanimine is a drug-like molecule.
MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-naphthalen-1-ylmethanimine |
MolecularFormula : C22H24N3 |
Smiles : C(c1ccccc1)[NH+](CC1)CCN1/N=C\c1cccc2ccccc12 |
InChI : InChI=1S/C22H23N3/c1-2-7-19(8-3-1)18-24-13-15-25(16-14-24)23-17-21-11-6-10-20-9-4-5-12-22(20)21/h1-12,17H,13-16,18H2/p+1 |
InChIK : RIRNOMXXURRKDY-UHFFFAOYSA-O |
TotalMolweight : 330.454 |
Molweight : 330.454 |
MonoisotopicMass : 330.197022 |
CLogP : 2.1037 |
CLogS : -4.262 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 282.32 |
Relative PSA : 0.11565 |
PolarSurfaceArea : 20.04 |
Druglikeness : 3.8498 |
Mutagenic : none |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.64 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 16 |
Sp3Atoms : 7 |
Symmetricatoms : 4 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |