| MolName | N'-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide |
| MolecularFormula | C22H24N4O2Cl2 |
| Smiles | O=C(CCN(CC1)CCN1c1ccccc1)NNC(/C=C/c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C22H24Cl2N4O2/c23-18-8-6-17(20(24)16-18)7-9-21(29)25-26-22(30)10-11-27-12-14-28(15-13-27)19-4-2-1-3-5-19/h1-9,16H,10-15H2,(H,25,29)(H,26,30) |
| InChIK | NLCXFLHERCSQJO-UHFFFAOYSA-N |
| TotalMolweight | 447.365 |
| Molweight | 447.365 |
| MonoisotopicMass | 446.12763 |
| CLogP | 3.0365 |
| CLogS | -4.789 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 338.44 |
| Relative PSA | 0.16576 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | 7.125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N'-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide | 2 - N'-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide