(NZ)-N-[[4-(2-phenylethynyl)phenyl]methylidene]hydroxylamine
Formula:C15H11NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[4-(2-phenylethynyl)phenyl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[4-(2-phenylethynyl)phenyl]methylidene]hydroxylamine |
| MolecularFormula | C15H11NO |
| Smiles | O/N=C\c(cc1)ccc1C#Cc1ccccc1 |
| InChI | InChI=1S/C15H11NO/c17-16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-12,17H |
| InChIK | KXYAPNJEVXAHOP-UHFFFAOYSA-N |
| TotalMolweight | 221.258 |
| Molweight | 221.258 |
| MonoisotopicMass | 221.084064 |
| CLogP | 4.3983 |
| CLogS | -3.351 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 193.93 |
| Relative PSA | 0.1269 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -4.6813 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.76471 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (NZ)-N-[[4-(2-phenylethynyl)phenyl]methylidene]hydroxylamine | 2 - (NZ)-N-[[4-(2-phenylethynyl)phenyl]methylidene]hydroxylamine
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