[(E)-(4-fluorophenyl)methylideneamino] N-naphthalen-1-ylcarbamate
Formula:C18H13N2O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(4-fluorophenyl)methylideneamino] N-naphthalen-1-ylcarbamate is not a drug-like molecule.
| MolName | [(E)-(4-fluorophenyl)methylideneamino] N-naphthalen-1-ylcarbamate |
| MolecularFormula | C18H13N2O2F |
| Smiles | O=C(Nc1cccc2ccccc12)O/N=C/c(cc1)ccc1F |
| InChI | InChI=1S/C18H13FN2O2/c19-15-10-8-13(9-11-15)12-20-23-18(22)21-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H,21,22) |
| InChIK | GSGBBQINWUHUDS-UHFFFAOYSA-N |
| TotalMolweight | 308.311 |
| Molweight | 308.311 |
| MonoisotopicMass | 308.096106 |
| CLogP | 5.2072 |
| CLogS | -6.207 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.94 |
| Relative PSA | 0.19337 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -7.595 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| 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 | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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