(NZ)-N-[[2-(2-phenylethynyl)cyclopenten-1-yl]methylidene]hydroxylamine
Formula:C14H13NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[2-(2-phenylethynyl)cyclopenten-1-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[2-(2-phenylethynyl)cyclopenten-1-yl]methylidene]hydroxylamine |
| MolecularFormula | C14H13NO |
| Smiles | O/N=C\C(CCC1)=C1C#Cc1ccccc1 |
| InChI | InChI=1S/C14H13NO/c16-15-11-14-8-4-7-13(14)10-9-12-5-2-1-3-6-12/h1-3,5-6,11,16H,4,7-8H2 |
| InChIK | FNGBXIAWJMMZLN-UHFFFAOYSA-N |
| TotalMolweight | 211.263 |
| Molweight | 211.263 |
| MonoisotopicMass | 211.099714 |
| CLogP | 3.5011 |
| CLogS | -3.91 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 184.87 |
| Relative PSA | 0.13312 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -6.7443 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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