4-(cyclopropanecarbonylamino)-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
Formula:C18H16N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(cyclopropanecarbonylamino)-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(cyclopropanecarbonylamino)-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C18H16N3O2F |
| Smiles | O=C(C1CC1)Nc(cc1)ccc1C(N/N=C\c(cc1)ccc1F)=O |
| InChI | InChI=1S/C18H16FN3O2/c19-15-7-1-12(2-8-15)11-20-22-18(24)14-5-9-16(10-6-14)21-17(23)13-3-4-13/h1-2,5-11,13H,3-4H2,(H,21,23)(H,22,24) |
| InChIK | JLFYGURSZXPOMR-UHFFFAOYSA-N |
| TotalMolweight | 325.342 |
| Molweight | 325.342 |
| MonoisotopicMass | 325.122655 |
| CLogP | 3.3242 |
| CLogS | -4.893 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 249.07 |
| Relative PSA | 0.24294 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 5.0986 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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