6-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
Formula:C18H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
6-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 6-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one |
| MolecularFormula | C18H16N4O2 |
| Smiles | O=C1N=CC=C(N/N=C\c2cc(OCc3ccccc3)ccc2)N1 |
| InChI | InChI=1S/C18H16N4O2/c23-18-19-10-9-17(21-18)22-20-12-15-7-4-8-16(11-15)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,19,21,22,23) |
| InChIK | SOKZAULFEYFQHO-UHFFFAOYSA-N |
| TotalMolweight | 320.351 |
| Molweight | 320.351 |
| MonoisotopicMass | 320.127326 |
| CLogP | 3.2361 |
| CLogS | -5.973 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 258.18 |
| Relative PSA | 0.26718 |
| PolarSurfaceArea | 75.08 |
| Druglikeness | 2.6705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | polar activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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