(NE)-N-[1-(4-chlorophenyl)-2-(5-piperidin-1-yltetrazol-2-yl)ethylidene]hydroxylamine
Formula:C14H17N6OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[1-(4-chlorophenyl)-2-(5-piperidin-1-yltetrazol-2-yl)ethylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[1-(4-chlorophenyl)-2-(5-piperidin-1-yltetrazol-2-yl)ethylidene]hydroxylamine |
| MolecularFormula | C14H17N6OCl |
| Smiles | O/N=C(/Cn1nnc(N2CCCCC2)n1)\c(cc1)ccc1Cl |
| InChI | InChI=1S/C14H17ClN6O/c15-12-6-4-11(5-7-12)13(18-22)10-21-17-14(16-19-21)20-8-2-1-3-9-20/h4-7,22H,1-3,8-10H2 |
| InChIK | BEUSNNINHDPUOW-UHFFFAOYSA-N |
| TotalMolweight | 320.783 |
| Molweight | 320.783 |
| MonoisotopicMass | 320.115236 |
| CLogP | 3.0728 |
| CLogS | -3.767 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 242.6 |
| Relative PSA | 0.28005 |
| PolarSurfaceArea | 79.43 |
| Druglikeness | -1.4922 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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