| MolName | [(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino] N-phenylcarbamate |
| MolecularFormula | C18H15N2O2Cl |
| Smiles | O=C(Nc1ccccc1)O/N=C\C(CCc1c2cccc1)=C2Cl |
| InChI | InChI=1S/C18H15ClN2O2/c19-17-14(11-10-13-6-4-5-9-16(13)17)12-20-23-18(22)21-15-7-2-1-3-8-15/h1-9,12H,10-11H2,(H,21,22) |
| InChIK | KADUQFQJLZZVOV-UHFFFAOYSA-N |
| TotalMolweight | 326.782 |
| Molweight | 326.782 |
| MonoisotopicMass | 326.082205 |
| CLogP | 4.88 |
| CLogS | -4.171 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.35 |
| Relative PSA | 0.18452 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -6.5179 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino] N-phenylcarbamate | 2 - [(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino] N-phenylcarbamate