(Z,Z)-2-chloro-3-phenyl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-imine
Formula:C18H20N4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z,Z)-2-chloro-3-phenyl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,Z)-2-chloro-3-phenyl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-imine |
| MolecularFormula | C18H20N4Cl |
| Smiles | Cl/C(/C=N\N(CC1)CCN1c1[nH+]cccc1)=C\c1ccccc1 |
| InChI | InChI=1S/C18H19ClN4/c19-17(14-16-6-2-1-3-7-16)15-21-23-12-10-22(11-13-23)18-8-4-5-9-20-18/h1-9,14-15H,10-13H2/p+1 |
| InChIK | DIVHNASUCKLCEI-UHFFFAOYSA-O |
| TotalMolweight | 327.838 |
| Molweight | 327.838 |
| MonoisotopicMass | 327.137648 |
| CLogP | 0.9487 |
| CLogS | -3.891 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.84 |
| Relative PSA | 0.075089 |
| PolarSurfaceArea | 32.98 |
| Druglikeness | 6.3557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z,Z)-2-chloro-3-phenyl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-imine | 2 - (Z,Z)-2-chloro-3-phenyl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-imine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off