4-cyano-2-fluoro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
Formula:C22H15N3O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-cyano-2-fluoro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-cyano-2-fluoro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C22H15N3O2F2 |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c(cccc1)c1OCc(cc1)ccc1F)=O |
| InChI | InChI=1S/C22H15F2N3O2/c23-18-8-5-15(6-9-18)14-29-21-4-2-1-3-17(21)13-26-27-22(28)19-10-7-16(12-25)11-20(19)24/h1-11,13H,14H2,(H,27,28) |
| InChIK | KTKOUQVBOLOTFP-UHFFFAOYSA-N |
| TotalMolweight | 391.376 |
| Molweight | 391.376 |
| MonoisotopicMass | 391.113233 |
| CLogP | 4.5869 |
| CLogS | -6.463 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 304.92 |
| Relative PSA | 0.19536 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -1.5995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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