(NE)-N-(1-benzylpyrrolidin-3-ylidene)hydroxylamine
Formula:C11H14N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(1-benzylpyrrolidin-3-ylidene)hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-(1-benzylpyrrolidin-3-ylidene)hydroxylamine |
| MolecularFormula | C11H14N2O |
| Smiles | O/N=C1/CN(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C11H14N2O/c14-12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,14H,6-9H2 |
| InChIK | LFNQMUOLIMKYBH-UHFFFAOYSA-N |
| TotalMolweight | 190.245 |
| Molweight | 190.245 |
| MonoisotopicMass | 190.110613 |
| CLogP | 1.9865 |
| CLogS | -1.843 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 154.42 |
| Relative PSA | 0.18236 |
| PolarSurfaceArea | 35.83 |
| Druglikeness | 2.7861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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