(E)-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide
Formula:C22H20N2O2S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide is a drug-like molecule.
| MolName | (E)-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide |
| MolecularFormula | C22H20N2O2S |
| Smiles | O=C(CSCc1cccc2ccccc12)NNC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C22H20N2O2S/c25-21(14-13-17-7-2-1-3-8-17)23-24-22(26)16-27-15-19-11-6-10-18-9-4-5-12-20(18)19/h1-14H,15-16H2,(H,23,25)(H,24,26) |
| InChIK | UGULOVANSNRDTQ-UHFFFAOYSA-N |
| TotalMolweight | 376.479 |
| Molweight | 376.479 |
| MonoisotopicMass | 376.124548 |
| CLogP | 3.3308 |
| CLogS | -6.072 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 297.55 |
| Relative PSA | 0.22346 |
| PolarSurfaceArea | 83.5 |
| Druglikeness | 1.0625 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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