(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-phenoxyphenyl)methanimine
Molecular Formula : C24H26N3O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-phenoxyphenyl)methanimine is a drug-like molecule.
MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-phenoxyphenyl)methanimine |
MolecularFormula : C24H26N3O |
Smiles : C(c1ccccc1)[NH+](CC1)CCN1/N=C\c1cccc(Oc2ccccc2)c1 |
InChI : InChI=1S/C24H25N3O/c1-3-8-21(9-4-1)20-26-14-16-27(17-15-26)25-19-22-10-7-13-24(18-22)28-23-11-5-2-6-12-23/h1-13,18-19H,14-17,20H2/p+1 |
InChIK : NACDIMVLKYHRRO-UHFFFAOYSA-O |
TotalMolweight : 372.49 |
Molweight : 372.49 |
MonoisotopicMass : 372.207587 |
CLogP : 2.3049 |
CLogS : -4.953 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 317.48 |
Relative PSA : 0.13434 |
PolarSurfaceArea : 29.27 |
Druglikeness : 3.5777 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.67857 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 6 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 8 |
Symmetricatoms : 6 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |