(NZ)-N-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
Formula:C16H12N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine |
| MolecularFormula | C16H12N4O3 |
| Smiles | [O-][N+](c(cc1)ccc1-c(c(/C=N\O)c1)nn1-c1ccccc1)=O |
| InChI | InChI=1S/C16H12N4O3/c21-17-10-13-11-19(14-4-2-1-3-5-14)18-16(13)12-6-8-15(9-7-12)20(22)23/h1-11,21H |
| InChIK | WQXIDSLQGCDYSX-UHFFFAOYSA-N |
| TotalMolweight | 308.296 |
| Molweight | 308.296 |
| MonoisotopicMass | 308.090941 |
| CLogP | 2.2117 |
| CLogS | -4.288 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 235.52 |
| Relative PSA | 0.3094 |
| PolarSurfaceArea | 96.23 |
| Druglikeness | -2.2955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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