(NE)-N-[3-(3-chloroanilino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
Formula:C13H15N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[3-(3-chloroanilino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[3-(3-chloroanilino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine |
| MolecularFormula | C13H15N2OCl |
| Smiles | O/N=C(\C1CC2CC1)/C2Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C13H15ClN2O/c14-10-2-1-3-11(7-10)15-12-8-4-5-9(6-8)13(12)16-17/h1-3,7-9,12,15,17H,4-6H2 |
| InChIK | HPYZGMLEORBHTK-UHFFFAOYSA-N |
| TotalMolweight | 250.728 |
| Molweight | 250.728 |
| MonoisotopicMass | 250.08729 |
| CLogP | 3.2847 |
| CLogS | -4.149 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 181.24 |
| Relative PSA | 0.19902 |
| PolarSurfaceArea | 44.62 |
| Druglikeness | -0.745 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (NE)-N-[3-(3-chloroanilino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine | 2 - (NE)-N-[3-(3-chloroanilino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
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