(NE)-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
Formula:C17H22N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine |
| MolecularFormula | C17H22N3OCl |
| Smiles | O/N=C(\C1CC2CC1)/C2N(CC1)CCN1c(cccc1)c1Cl |
| InChI | InChI=1S/C17H22ClN3O/c18-14-3-1-2-4-15(14)20-7-9-21(10-8-20)17-13-6-5-12(11-13)16(17)19-22/h1-4,12-13,17,22H,5-11H2 |
| InChIK | DVNIJBYEEQFPIB-UHFFFAOYSA-N |
| TotalMolweight | 319.835 |
| Molweight | 319.835 |
| MonoisotopicMass | 319.145139 |
| CLogP | 3.4161 |
| CLogS | -3.694 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 231.92 |
| Relative PSA | 0.13673 |
| PolarSurfaceArea | 39.07 |
| Druglikeness | 3.8105 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (NE)-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine | 2 - (NE)-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
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