(NE)-N-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]hydroxylamine
Formula:C13H15N6O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]hydroxylamine |
| MolecularFormula | C13H15N6O2Cl |
| Smiles | O/N=C(/Cn1nnc(N2CCOCC2)n1)\c(cc1)ccc1Cl |
| InChI | InChI=1S/C13H15ClN6O2/c14-11-3-1-10(2-4-11)12(17-21)9-20-16-13(15-18-20)19-5-7-22-8-6-19/h1-4,21H,5-9H2 |
| InChIK | SHOMWJOUUHBDKY-UHFFFAOYSA-N |
| TotalMolweight | 322.755 |
| Molweight | 322.755 |
| MonoisotopicMass | 322.094501 |
| CLogP | 1.9088 |
| CLogS | -2.878 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 238.84 |
| Relative PSA | 0.32633 |
| PolarSurfaceArea | 88.66 |
| Druglikeness | -0.76242 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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