N-[(Z)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-3-fluorobenzamide
Formula:C16H12N2OClF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-3-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-3-fluorobenzamide |
| MolecularFormula | C16H12N2OClF |
| Smiles | O=C(c1cc(F)ccc1)N/N=C\C=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C16H12ClFN2O/c17-15-9-2-1-5-12(15)7-4-10-19-20-16(21)13-6-3-8-14(18)11-13/h1-11H,(H,20,21) |
| InChIK | IFLCDXGGDXOAMW-UHFFFAOYSA-N |
| TotalMolweight | 302.735 |
| Molweight | 302.735 |
| MonoisotopicMass | 302.062218 |
| CLogP | 3.9267 |
| CLogS | -5.063 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 235.26 |
| Relative PSA | 0.15306 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.1265 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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