(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-phenylmethoxyphenyl)methanimine
Molecular Formula : C25H28N3O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-phenylmethoxyphenyl)methanimine is a drug-like molecule.
MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-phenylmethoxyphenyl)methanimine |
MolecularFormula : C25H28N3O |
Smiles : C(c1ccccc1)[NH+](CC1)CCN1/N=C\c(cc1)ccc1OCc1ccccc1 |
InChI : InChI=1S/C25H27N3O/c1-3-7-23(8-4-1)20-27-15-17-28(18-16-27)26-19-22-11-13-25(14-12-22)29-21-24-9-5-2-6-10-24/h1-14,19H,15-18,20-21H2/p+1 |
InChIK : KVDVAWBLDPOQCG-UHFFFAOYSA-O |
TotalMolweight : 386.517 |
Molweight : 386.517 |
MonoisotopicMass : 386.223237 |
CLogP : 2.2574 |
CLogS : -3.997 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 331.24 |
Relative PSA : 0.12876 |
PolarSurfaceArea : 29.27 |
Druglikeness : 3.2605 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.72414 |
Fragments : 1 |
Non HAtoms : 29 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 7 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 9 |
Symmetricatoms : 8 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |