N-[3-[(2Z)-2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
Formula:C18H18N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[3-[(2Z)-2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide is a drug-like molecule.
| MolName | N-[3-[(2Z)-2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide |
| MolecularFormula | C18H18N3O2F |
| Smiles | O=C(CCNC(c1ccccc1)=O)N/N=C\c1c(CF)cccc1 |
| InChI | InChI=1S/C18H18FN3O2/c19-12-15-8-4-5-9-16(15)13-21-22-17(23)10-11-20-18(24)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,20,24)(H,22,23) |
| InChIK | IDYVJJAMECBEFL-UHFFFAOYSA-N |
| TotalMolweight | 327.358 |
| Molweight | 327.358 |
| MonoisotopicMass | 327.138305 |
| CLogP | 2.8435 |
| CLogS | -4.224 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 263.83 |
| Relative PSA | 0.22935 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.9388 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[3-[(2Z)-2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide | 2 - N-[3-[(2Z)-2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
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