[(Z)-2,3-dihydroinden-1-ylideneamino] 3-fluorobenzoate
Formula:C16H12NO2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-2,3-dihydroinden-1-ylideneamino] 3-fluorobenzoate is a drug-like molecule.
| MolName | [(Z)-2,3-dihydroinden-1-ylideneamino] 3-fluorobenzoate |
| MolecularFormula | C16H12NO2F |
| Smiles | O=C(c1cccc(F)c1)O/N=C(/CC1)\c2c1cccc2 |
| InChI | InChI=1S/C16H12FNO2/c17-13-6-3-5-12(10-13)16(19)20-18-15-9-8-11-4-1-2-7-14(11)15/h1-7,10H,8-9H2 |
| InChIK | FSUGMHVOMUBFEG-UHFFFAOYSA-N |
| TotalMolweight | 269.274 |
| Molweight | 269.274 |
| MonoisotopicMass | 269.085207 |
| CLogP | 4.3496 |
| CLogS | -4.764 |
| H Acceptors | 3 |
| TotalSurfaceArea | 204.11 |
| Relative PSA | 0.16927 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -4.7706 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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