(NE)-N-(1-piperidin-1-yl-1,3-dihydroinden-2-ylidene)hydroxylamine
Formula:C14H18N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(1-piperidin-1-yl-1,3-dihydroinden-2-ylidene)hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-(1-piperidin-1-yl-1,3-dihydroinden-2-ylidene)hydroxylamine |
| MolecularFormula | C14H18N2O |
| Smiles | O/N=C(\Cc1c2cccc1)/C2N1CCCCC1 |
| InChI | InChI=1S/C14H18N2O/c17-15-13-10-11-6-2-3-7-12(11)14(13)16-8-4-1-5-9-16/h2-3,6-7,14,17H,1,4-5,8-10H2/t14-/m1/s1 |
| InChIK | JMUXAWIENGARML-CQSZACIVSA-N |
| TotalMolweight | 230.31 |
| Molweight | 230.31 |
| MonoisotopicMass | 230.141913 |
| CLogP | 3.0146 |
| CLogS | -2.503 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 180.94 |
| Relative PSA | 0.15563 |
| PolarSurfaceArea | 35.83 |
| Druglikeness | 1.1302 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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