N-[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino]-4-fluoroaniline
Formula:C17H14N2ClF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino]-4-fluoroaniline is not a drug-like molecule.
| MolName | N-[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino]-4-fluoroaniline |
| MolecularFormula | C17H14N2ClF |
| Smiles | Fc(cc1)ccc1N/N=C\C(CCc1c2cccc1)=C2Cl |
| InChI | InChI=1S/C17H14ClFN2/c18-17-13(6-5-12-3-1-2-4-16(12)17)11-20-21-15-9-7-14(19)8-10-15/h1-4,7-11,21H,5-6H2 |
| InChIK | YCZVSVBBEOLBNW-UHFFFAOYSA-N |
| TotalMolweight | 300.763 |
| Molweight | 300.763 |
| MonoisotopicMass | 300.082953 |
| CLogP | 5.9097 |
| CLogS | -3.347 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 227.95 |
| Relative PSA | 0.10077 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 0.23487 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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