(NZ)-N-[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
Formula:C16H12N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine |
| MolecularFormula | C16H12N3OCl |
| Smiles | O/N=C\c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 |
| InChI | InChI=1S/C16H12ClN3O/c17-14-6-4-5-12(9-14)16-13(10-18-21)11-20(19-16)15-7-2-1-3-8-15/h1-11,21H |
| InChIK | YOLSMEYJPPMXNC-UHFFFAOYSA-N |
| TotalMolweight | 297.744 |
| Molweight | 297.744 |
| MonoisotopicMass | 297.066889 |
| CLogP | 3.7393 |
| CLogS | -4.564 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 227.27 |
| Relative PSA | 0.18678 |
| PolarSurfaceArea | 50.41 |
| Druglikeness | 2.9386 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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