(Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-pyridin-3-ylmethanimine
Molecular Formula : C21H23N4 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |(Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-pyridin-3-ylmethanimine is a drug-like molecule.
MolName : (Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-pyridin-3-ylmethanimine |
MolecularFormula : C21H23N4 |
Smiles : C(c1cccc2ccccc12)[NH+](CC1)CCN1/N=C\c1cccnc1 |
InChI : InChI=1S/C21H22N4/c1-2-9-21-19(6-1)7-3-8-20(21)17-24-11-13-25(14-12-24)23-16-18-5-4-10-22-15-18/h1-10,15-16H,11-14,17H2/p+1 |
InChIK : NYLAUQJTBURUOI-UHFFFAOYSA-O |
TotalMolweight : 331.442 |
Molweight : 331.442 |
MonoisotopicMass : 331.192271 |
CLogP : 1.1028 |
CLogS : -3.467 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 281.08 |
Relative PSA : 0.15519 |
PolarSurfaceArea : 32.93 |
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 : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 16 |
Sp3Atoms : 7 |
Symmetricatoms : 2 |
Amines : 1 |
AlkylAmines : 1 |
Aromatic Nitrogens : 1 |
BasicNitrogens : 1 |
StereoCon : |