| MolName | N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide |
| MolecularFormula | C22H25N4O2Cl |
| Smiles | O=C(CCN(CC1)CCN1c1ccccc1)NNC(/C=C/c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C22H25ClN4O2/c23-19-9-6-18(7-10-19)8-11-21(28)24-25-22(29)12-13-26-14-16-27(17-15-26)20-4-2-1-3-5-20/h1-11H,12-17H2,(H,24,28)(H,25,29) |
| InChIK | IEDCFQBITBAQAJ-UHFFFAOYSA-N |
| TotalMolweight | 412.92 |
| Molweight | 412.92 |
| MonoisotopicMass | 412.166603 |
| CLogP | 2.4305 |
| CLogS | -4.053 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 323.02 |
| Relative PSA | 0.17367 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | 7.125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide | 2 - N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide