(NZ)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydroxylamine
Formula:C14H11N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydroxylamine |
| MolecularFormula | C14H11N3OS |
| Smiles | O/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C14H11N3OS/c18-15-9-11-10-17(12-5-2-1-3-6-12)16-14(11)13-7-4-8-19-13/h1-10,18H |
| InChIK | CXCUCUMTJPZPEM-UHFFFAOYSA-N |
| TotalMolweight | 269.327 |
| Molweight | 269.327 |
| MonoisotopicMass | 269.062282 |
| CLogP | 3.1568 |
| CLogS | -3.749 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 207.79 |
| Relative PSA | 0.30228 |
| PolarSurfaceArea | 78.65 |
| Druglikeness | 4.5717 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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