N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-N-phenylbenzamide
Formula:C22H18N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-N-phenylbenzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-N-phenylbenzamide |
| MolecularFormula | C22H18N3O2F |
| Smiles | O=C(CN(C(c1ccccc1)=O)c1ccccc1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C22H18FN3O2/c23-19-13-11-17(12-14-19)15-24-25-21(27)16-26(20-9-5-2-6-10-20)22(28)18-7-3-1-4-8-18/h1-15H,16H2,(H,25,27) |
| InChIK | XTVPNBPGBZWKNI-UHFFFAOYSA-N |
| TotalMolweight | 375.402 |
| Molweight | 375.402 |
| MonoisotopicMass | 375.138305 |
| CLogP | 4.3442 |
| CLogS | -5.285 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 294.91 |
| Relative PSA | 0.17836 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 5.1578 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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