(NE)-N-[(2E)-2-[(E)-3-phenylprop-2-enylidene]cyclohexylidene]hydroxylamine
Formula:C15H17NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[(2E)-2-[(E)-3-phenylprop-2-enylidene]cyclohexylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[(2E)-2-[(E)-3-phenylprop-2-enylidene]cyclohexylidene]hydroxylamine |
| MolecularFormula | C15H17NO |
| Smiles | O/N=C(\CCCC1)/C1=C/C=C/c1ccccc1 |
| InChI | InChI=1S/C15H17NO/c17-16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-3,6-9,11,17H,4-5,10,12H2 |
| InChIK | NTZJGJWGZJESSH-UHFFFAOYSA-N |
| TotalMolweight | 227.306 |
| Molweight | 227.306 |
| MonoisotopicMass | 227.131014 |
| CLogP | 4.3688 |
| CLogS | -3.883 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 195.33 |
| Relative PSA | 0.12599 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -5.0239 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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