4-[[(Z)-benzylideneamino]oxymethyl]benzonitrile
Formula:C15H12N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[(Z)-benzylideneamino]oxymethyl]benzonitrile is a drug-like molecule.
| MolName | 4-[[(Z)-benzylideneamino]oxymethyl]benzonitrile |
| MolecularFormula | C15H12N2O |
| Smiles | N#Cc1ccc(CO/N=C\c2ccccc2)cc1 |
| InChI | InChI=1S/C15H12N2O/c16-10-13-6-8-15(9-7-13)12-18-17-11-14-4-2-1-3-5-14/h1-9,11H,12H2 |
| InChIK | IGMHUEZBYRTJAB-UHFFFAOYSA-N |
| TotalMolweight | 236.273 |
| Molweight | 236.273 |
| MonoisotopicMass | 236.094963 |
| CLogP | 3.6713 |
| CLogS | -4.415 |
| H Acceptors | 3 |
| TotalSurfaceArea | 203.25 |
| Relative PSA | 0.17255 |
| PolarSurfaceArea | 45.38 |
| Druglikeness | -4.2489 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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