[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino] 4-fluorobenzoate
Formula:C18H13NO2ClF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino] 4-fluorobenzoate is a drug-like molecule.
| MolName | [(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino] 4-fluorobenzoate |
| MolecularFormula | C18H13NO2ClF |
| Smiles | O=C(c(cc1)ccc1F)O/N=C\C(CCc1c2cccc1)=C2Cl |
| InChI | InChI=1S/C18H13ClFNO2/c19-17-14(6-5-12-3-1-2-4-16(12)17)11-21-23-18(22)13-7-9-15(20)10-8-13/h1-4,7-11H,5-6H2 |
| InChIK | IXXTZXFVDRBURD-UHFFFAOYSA-N |
| TotalMolweight | 329.757 |
| Molweight | 329.757 |
| MonoisotopicMass | 329.061884 |
| CLogP | 4.9869 |
| CLogS | -3.969 |
| H Acceptors | 3 |
| TotalSurfaceArea | 244.24 |
| Relative PSA | 0.14146 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -4.8368 |
| Mutagenic | high |
| Tumorigenic | high |
| 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 |
| StereoCon |
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