(NZ)-N-[(2E)-2-benzylidenecyclopentylidene]hydroxylamine
Formula:C12H13NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(2E)-2-benzylidenecyclopentylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(2E)-2-benzylidenecyclopentylidene]hydroxylamine |
| MolecularFormula | C12H13NO |
| Smiles | O/N=C(/CCC1)\C1=C\c1ccccc1 |
| InChI | InChI=1S/C12H13NO/c14-13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-3,5-6,9,14H,4,7-8H2 |
| InChIK | JDMKEINRMVQHKR-UHFFFAOYSA-N |
| TotalMolweight | 187.241 |
| Molweight | 187.241 |
| MonoisotopicMass | 187.099714 |
| CLogP | 3.3702 |
| CLogS | -3.301 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 155.07 |
| Relative PSA | 0.1587 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -3.0125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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