(NE)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butylidene]hydroxylamine
Formula:C22H26N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butylidene]hydroxylamine |
| MolecularFormula | C22H26N2O3 |
| Smiles | O/N=C(\CCCN(CC1)CC1c1ccccc1)/c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C22H26N2O3/c25-23-20(18-8-9-21-22(15-18)27-14-13-26-21)7-4-11-24-12-10-19(16-24)17-5-2-1-3-6-17/h1-3,5-6,8-9,15,19,25H,4,7,10-14,16H2/t19-/m1/s1 |
| InChIK | YHUSZJFVJPKOKC-LJQANCHMSA-N |
| TotalMolweight | 366.459 |
| Molweight | 366.459 |
| MonoisotopicMass | 366.194343 |
| CLogP | 4.8687 |
| CLogS | -4.439 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 288.22 |
| Relative PSA | 0.16709 |
| PolarSurfaceArea | 54.29 |
| Druglikeness | -5.2775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (NE)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butylidene]hydroxylamine | 2 - (NE)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butylidene]hydroxylamine
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