(NE)-N-[(4Z)-8-(4-benzylpiperazin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine
Formula:C19H27N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[(4Z)-8-(4-benzylpiperazin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[(4Z)-8-(4-benzylpiperazin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine |
| MolecularFormula | C19H27N3O |
| Smiles | O/N=C(\CC/C=C\CC1)/C1N1CCN(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C19H27N3O/c23-20-18-10-6-1-2-7-11-19(18)22-14-12-21(13-15-22)16-17-8-4-3-5-9-17/h1-5,8-9,19,23H,6-7,10-16H2/t19-/m0/s1 |
| InChIK | DYVQGZRGSKMNHV-IBGZPJMESA-N |
| TotalMolweight | 313.443 |
| Molweight | 313.443 |
| MonoisotopicMass | 313.215412 |
| CLogP | 3.6463 |
| CLogS | -2.612 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 259.02 |
| Relative PSA | 0.12242 |
| PolarSurfaceArea | 39.07 |
| Druglikeness | 0.6481 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
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