N-[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino]aniline
Formula:C17H15N2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino]aniline |
| MolecularFormula | C17H15N2Cl |
| Smiles | ClC(c1c(CC2)cccc1)=C2/C=N\Nc1ccccc1 |
| InChI | InChI=1S/C17H15ClN2/c18-17-14(11-10-13-6-4-5-9-16(13)17)12-19-20-15-7-2-1-3-8-15/h1-9,12,20H,10-11H2 |
| InChIK | PAEZKFMNEUUWGY-UHFFFAOYSA-N |
| TotalMolweight | 282.773 |
| Molweight | 282.773 |
| MonoisotopicMass | 282.092375 |
| CLogP | 5.8089 |
| CLogS | -3.033 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 221.6 |
| Relative PSA | 0.10366 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 1.5749 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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