(Z,Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-imine
Formula:C18H20N3OCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(Z,Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-imine |
| MolecularFormula | C18H20N3OCl |
| Smiles | Clc1ccc(CN(CC2)CCN2/N=C\C=C/c2ccco2)cc1 |
| InChI | InChI=1S/C18H20ClN3O/c19-17-7-5-16(6-8-17)15-21-10-12-22(13-11-21)20-9-1-3-18-4-2-14-23-18/h1-9,14H,10-13,15H2 |
| InChIK | RZEULCYZOKAERR-UHFFFAOYSA-N |
| TotalMolweight | 329.83 |
| Molweight | 329.83 |
| MonoisotopicMass | 329.129489 |
| CLogP | 2.832 |
| CLogS | -3.366 |
| H Acceptors | 4 |
| TotalSurfaceArea | 265.29 |
| Relative PSA | 0.12334 |
| PolarSurfaceArea | 31.98 |
| Druglikeness | 6.2586 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z,Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-imine | 2 - (Z,Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-imine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off