(Z,Z)-2-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
Formula:C20H21N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z,Z)-2-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,Z)-2-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine |
| MolecularFormula | C20H21N3Cl2 |
| Smiles | Cl/C(/C=N\N1CCN(Cc(cccc2)c2Cl)CC1)=C\c1ccccc1 |
| InChI | InChI=1S/C20H21Cl2N3/c21-19(14-17-6-2-1-3-7-17)15-23-25-12-10-24(11-13-25)16-18-8-4-5-9-20(18)22/h1-9,14-15H,10-13,16H2 |
| InChIK | UCTUKMAOYUINRI-UHFFFAOYSA-N |
| TotalMolweight | 374.314 |
| Molweight | 374.314 |
| MonoisotopicMass | 373.111251 |
| CLogP | 4.1049 |
| CLogS | -4.375 |
| H Acceptors | 3 |
| TotalSurfaceArea | 289.23 |
| Relative PSA | 0.064343 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 7.0153 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z,Z)-2-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine | 2 - (Z,Z)-2-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off