(NE)-N-[1-(4-chlorophenyl)-2-(5-pyrrolidin-1-yltetrazol-2-yl)ethylidene]hydroxylamine
Formula:C13H15N6OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[1-(4-chlorophenyl)-2-(5-pyrrolidin-1-yltetrazol-2-yl)ethylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[1-(4-chlorophenyl)-2-(5-pyrrolidin-1-yltetrazol-2-yl)ethylidene]hydroxylamine |
| MolecularFormula | C13H15N6OCl |
| Smiles | O/N=C(/Cn1nnc(N2CCCC2)n1)\c(cc1)ccc1Cl |
| InChI | InChI=1S/C13H15ClN6O/c14-11-5-3-10(4-6-11)12(17-21)9-20-16-13(15-18-20)19-7-1-2-8-19/h3-6,21H,1-2,7-9H2 |
| InChIK | FEIVAVGJDLYRJL-UHFFFAOYSA-N |
| TotalMolweight | 306.756 |
| Molweight | 306.756 |
| MonoisotopicMass | 306.099586 |
| CLogP | 2.7308 |
| CLogS | -3.497 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 228.84 |
| Relative PSA | 0.29689 |
| PolarSurfaceArea | 79.43 |
| Druglikeness | -0.032084 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - (NE)-N-[1-(4-chlorophenyl)-2-(5-pyrrolidin-1-yltetrazol-2-yl)ethylidene]hydroxylamine | 2 - (NE)-N-[1-(4-chlorophenyl)-2-(5-pyrrolidin-1-yltetrazol-2-yl)ethylidene]hydroxylamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off