(NZ)-N-[[1-(4-chlorophenyl)triazol-4-yl]methylidene]hydroxylamine
Formula:C9H7N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[1-(4-chlorophenyl)triazol-4-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[1-(4-chlorophenyl)triazol-4-yl]methylidene]hydroxylamine |
| MolecularFormula | C9H7N4OCl |
| Smiles | O/N=C\c1cn(-c(cc2)ccc2Cl)nn1 |
| InChI | InChI=1S/C9H7ClN4O/c10-7-1-3-9(4-2-7)14-6-8(5-11-15)12-13-14/h1-6,15H |
| InChIK | KCXHNZGGTPMYAO-UHFFFAOYSA-N |
| TotalMolweight | 222.635 |
| Molweight | 222.635 |
| MonoisotopicMass | 222.030838 |
| CLogP | 1.6887 |
| CLogS | -2.799 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 166.27 |
| Relative PSA | 0.32128 |
| PolarSurfaceArea | 63.3 |
| Druglikeness | -2.615 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (NZ)-N-[[1-(4-chlorophenyl)triazol-4-yl]methylidene]hydroxylamine | 2 - (NZ)-N-[[1-(4-chlorophenyl)triazol-4-yl]methylidene]hydroxylamine
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