(NE)-N-[1-(4-benzylpiperidin-1-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine
Formula:C21H24N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[1-(4-benzylpiperidin-1-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[1-(4-benzylpiperidin-1-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine |
| MolecularFormula | C21H24N2O |
| Smiles | O/N=C(\Cc1c2cccc1)/C2N1CCC(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C21H24N2O/c24-22-20-15-18-8-4-5-9-19(18)21(20)23-12-10-17(11-13-23)14-16-6-2-1-3-7-16/h1-9,17,21,24H,10-15H2/t21-/m1/s1 |
| InChIK | GEIJOHAFNRWGQC-OAQYLSRUSA-N |
| TotalMolweight | 320.435 |
| Molweight | 320.435 |
| MonoisotopicMass | 320.188863 |
| CLogP | 4.7258 |
| CLogS | -3.798 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 253.2 |
| Relative PSA | 0.11122 |
| PolarSurfaceArea | 35.83 |
| Druglikeness | 4.2465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (NE)-N-[1-(4-benzylpiperidin-1-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine | 2 - (NE)-N-[1-(4-benzylpiperidin-1-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine
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