(NE)-N-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]hydroxylamine
Formula:C13H14NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]hydroxylamine |
| MolecularFormula | C13H14NOCl |
| Smiles | O/N=C(\CCCC1)/C1=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C13H14ClNO/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15-16/h5-9,16H,1-4H2 |
| InChIK | RJALIFJBMFCTOY-UHFFFAOYSA-N |
| TotalMolweight | 235.713 |
| Molweight | 235.713 |
| MonoisotopicMass | 235.076391 |
| CLogP | 4.3182 |
| CLogS | -4.307 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 184.25 |
| Relative PSA | 0.13357 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -5.2423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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