3-phenyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]propanehydrazide
Formula:C16H16N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]propanehydrazide is a drug-like molecule.
| MolName | 3-phenyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]propanehydrazide |
| MolecularFormula | C16H16N2O2S |
| Smiles | O=C(CCc1ccccc1)NNC(/C=C/c1cccs1)=O |
| InChI | InChI=1S/C16H16N2O2S/c19-15(10-8-13-5-2-1-3-6-13)17-18-16(20)11-9-14-7-4-12-21-14/h1-7,9,11-12H,8,10H2,(H,17,19)(H,18,20) |
| InChIK | LIMDSCKZKRLAFQ-UHFFFAOYSA-N |
| TotalMolweight | 300.381 |
| Molweight | 300.381 |
| MonoisotopicMass | 300.093248 |
| CLogP | 2.2659 |
| CLogS | -3.925 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 241.4 |
| Relative PSA | 0.28732 |
| PolarSurfaceArea | 86.44 |
| Druglikeness | 1.4171 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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